2-[2-[2-(diethylamino)ethyl-propylamino]-2-oxoethoxy]-3,3-diethyl-N-[1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide

C30H50N4O4 — CID 57203995

IUPAC2-[2-[2-(diethylamino)ethyl-propylamino]-2-oxoethoxy]-3,3-diethyl-N-[1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide
SMILESCCCC(NC(=O)N1C(=O)C(CC)(CC)C1OCC(=O)N(CCC)CCN(CC)CC)c1ccc(C)cc1
InChIInChI=1S/C30H50N4O4/c1-8-14-25(24-17-15-23(7)16-18-24)31-29(37)34-27(36)30(10-3,11-4)28(34)38-22-26(35)33(19-9-2)21-20-32(12-5)13-6/h15-18,25,28H,8-14,19-22H2,1-7H3,(H,31,37)
InChIKeyRJXGSBFFVXAXBE-UHFFFAOYSA-N
MW530.75 g/mol
LogP5.12
Rot. Bonds16

About 2-[2-[2-(diethylamino)ethyl-propylamino]-2-oxoethoxy]-3,3-diethyl-N-[1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide

2-[2-[2-(diethylamino)ethyl-propylamino]-2-oxoethoxy]-3,3-diethyl-N-[1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide (PubChem CID 57203995) has the molecular formula C30H50N4O4 and a molecular weight of 530.75 g/mol. Its IUPAC name is 2-[2-[2-(diethylamino)ethyl-propylamino]-2-oxoethoxy]-3,3-diethyl-N-[1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide.

Molecular Properties

Compound Name2-[2-[2-(diethylamino)ethyl-propylamino]-2-oxoethoxy]-3,3-diethyl-N-[1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide
PubChem CID57203995
Molecular FormulaC30H50N4O4
Molecular Weight530.75 g/mol
Exact Mass530.38
IUPAC Name2-[2-[2-(diethylamino)ethyl-propylamino]-2-oxoethoxy]-3,3-diethyl-N-[1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide
SMILESCCCC(NC(=O)N1C(=O)C(CC)(CC)C1OCC(=O)N(CCC)CCN(CC)CC)c1ccc(C)cc1
InChIInChI=1S/C30H50N4O4/c1-8-14-25(24-17-15-23(7)16-18-24)31-29(37)34-27(36)30(10-3,11-4)28(34)38-22-26(35)33(19-9-2)21-20-32(12-5)13-6/h15-18,25,28H,8-14,19-22H2,1-7H3,(H,31,37)
InChIKeyRJXGSBFFVXAXBE-UHFFFAOYSA-N
XLogP5.12
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.75
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3,3-diethyl-2-[2-[ethyl-[2-[ethyl(2-methoxyethyl)amino]ethyl]amino]-2-oxoethoxy]-N-[(1R)-1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide
CID 18655074
2-[2-[2-[(2-amino-2-oxoethyl)-ethylamino]ethyl-ethylamino]-2-oxoethoxy]-3,3-diethyl-N-[1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide
CID 18965087
2-[2-[2-[di(propan-2-yl)amino]ethyl-ethylamino]-2-oxoethoxy]-3,3-diethyl-N-[(1R)-1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide
CID 70067672
(2S)-3,3-diethyl-2-[2-[ethyl-[2-(ethylamino)ethyl]amino]-2-oxoethoxy]-N-[(1R)-1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide
CID 18655087
3,3-diethyl-2-[2-[2-[ethyl(2-methoxyethyl)amino]ethyl-propan-2-ylamino]-2-oxoethoxy]-N-[(1R)-1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide
CID 70066692
(2S)-3,3-diethyl-2-[4-[[ethyl(2-methoxyethyl)amino]methyl]phenoxy]-N-[(1R)-1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide
CID 18391833
1-[4-[(2S)-3,3-diethyl-1-[[(1R)-1-(4-methylphenyl)butyl]carbamoyl]-4-oxoazetidin-2-yl]oxyphenyl]butyl-hydroxy-oxophosphanium
CID 22843336
2-(dibutylamino)ethyl 4-[(2S)-3,3-diethyl-1-[[(1R)-1-(4-methylphenyl)butyl]carbamoyl]-4-oxoazetidin-2-yl]oxybenzoate
CID 70076575
(2S)-2-[4-[[ethoxy(methyl)phosphoryl]methyl]phenoxy]-3,3-diethyl-N-[(1R)-1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide
CID 67912467
2-[di(propan-2-yl)amino]ethyl 4-[3,3-diethyl-1-[1-(4-methylphenyl)butylcarbamoyl]-4-oxoazetidin-2-yl]oxybenzoate
CID 70075920
4-[(2S)-3,3-diethyl-1-[[(1R)-1-(4-methylphenyl)butyl]carbamoyl]-4-oxoazetidin-2-yl]oxy-2-fluorobenzoic acid
CID 18652818
4-[(2S)-3,3-diethyl-1-[[(1S)-1-(4-methylphenyl)butyl]carbamoyl]-4-oxoazetidin-2-yl]oxy-2-[2-(dimethylamino)ethyl]benzoic acid
CID 57077287

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(diethylamino)ethyl-propylamino]-2-oxoethoxy]-3,3-diethyl-N-[1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide?
The IUPAC name of 2-[2-[2-(diethylamino)ethyl-propylamino]-2-oxoethoxy]-3,3-diethyl-N-[1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide (CID 57203995) is 2-[2-[2-(diethylamino)ethyl-propylamino]-2-oxoethoxy]-3,3-diethyl-N-[1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide.
What is the SMILES notation for 2-[2-[2-(diethylamino)ethyl-propylamino]-2-oxoethoxy]-3,3-diethyl-N-[1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide?
The canonical SMILES for 2-[2-[2-(diethylamino)ethyl-propylamino]-2-oxoethoxy]-3,3-diethyl-N-[1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide is CCCC(NC(=O)N1C(=O)C(CC)(CC)C1OCC(=O)N(CCC)CCN(CC)CC)c1ccc(C)cc1.
What is the InChIKey of 2-[2-[2-(diethylamino)ethyl-propylamino]-2-oxoethoxy]-3,3-diethyl-N-[1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide?
The InChIKey is RJXGSBFFVXAXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50N4O4/c1-8-14-25(24-17-15-23(7)16-18-24)31-29(37)34-27(36)30(10-3,11-4)28(34)38-22-26(35)33(19-9-2)21-20-32(12-5)13-6/h15-18,25,28H,8-14,19-22H2,1-7H3,(H,31,37).
What are the key properties of 2-[2-[2-(diethylamino)ethyl-propylamino]-2-oxoethoxy]-3,3-diethyl-N-[1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide?
2-[2-[2-(diethylamino)ethyl-propylamino]-2-oxoethoxy]-3,3-diethyl-N-[1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide has a molecular weight of 530.75 g/mol, XLogP of 5.12, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(diethylamino)ethyl-propylamino]-2-oxoethoxy]-3,3-diethyl-N-[1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide is sourced from PubChem (CID 57203995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).