2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(2-phenoxypropanoyl)imidazolidine-1,2-dicarboxamide

C23H29N5O5 — CID 23963542

IUPAC2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(2-phenoxypropanoyl)imidazolidine-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)N2CCN(C(=O)C(C)Oc3ccccc3)C2C(=O)NCCN)cc1
InChIInChI=1S/C23H29N5O5/c1-16(33-19-6-4-3-5-7-19)22(30)27-14-15-28(21(27)20(29)25-13-12-24)23(31)26-17-8-10-18(32-2)11-9-17/h3-11,16,21H,12-15,24H2,1-2H3,(H,25,29)(H,26,31)
InChIKeyDUQIGWUAVBPKKL-UHFFFAOYSA-N
MW455.52 g/mol
LogP1.24
Rot. Bonds8

About 2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(2-phenoxypropanoyl)imidazolidine-1,2-dicarboxamide

2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(2-phenoxypropanoyl)imidazolidine-1,2-dicarboxamide (PubChem CID 23963542) has the molecular formula C23H29N5O5 and a molecular weight of 455.52 g/mol. Its IUPAC name is 2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(2-phenoxypropanoyl)imidazolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(2-phenoxypropanoyl)imidazolidine-1,2-dicarboxamide
PubChem CID23963542
Molecular FormulaC23H29N5O5
Molecular Weight455.52 g/mol
Exact Mass455.22
IUPAC Name2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(2-phenoxypropanoyl)imidazolidine-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)N2CCN(C(=O)C(C)Oc3ccccc3)C2C(=O)NCCN)cc1
InChIInChI=1S/C23H29N5O5/c1-16(33-19-6-4-3-5-7-19)22(30)27-14-15-28(21(27)20(29)25-13-12-24)23(31)26-17-8-10-18(32-2)11-9-17/h3-11,16,21H,12-15,24H2,1-2H3,(H,25,29)(H,26,31)
InChIKeyDUQIGWUAVBPKKL-UHFFFAOYSA-N
XLogP1.24
TPSA126.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide
CID 23932909
1-N-(4-methoxyphenyl)-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide
CID 3219657
N-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 4951720
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 2952537
(2S)-2-(4-methoxyphenoxy)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propan-1-one
CID 51929991
2-N-[(4-methoxyphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 43814318
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(4-phenylphenoxy)propan-1-one
CID 119634509
2-(4-methoxyphenoxy)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119651488
(2R)-N-(4-anilinophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2203307
2-phenoxy-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one
CID 122329128
4-benzoyl-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 127044821
1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenoxypropan-1-one
CID 122345651

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(2-phenoxypropanoyl)imidazolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(2-phenoxypropanoyl)imidazolidine-1,2-dicarboxamide (CID 23963542) is 2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(2-phenoxypropanoyl)imidazolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(2-phenoxypropanoyl)imidazolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(2-phenoxypropanoyl)imidazolidine-1,2-dicarboxamide is COc1ccc(NC(=O)N2CCN(C(=O)C(C)Oc3ccccc3)C2C(=O)NCCN)cc1.
What is the InChIKey of 2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(2-phenoxypropanoyl)imidazolidine-1,2-dicarboxamide?
The InChIKey is DUQIGWUAVBPKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O5/c1-16(33-19-6-4-3-5-7-19)22(30)27-14-15-28(21(27)20(29)25-13-12-24)23(31)26-17-8-10-18(32-2)11-9-17/h3-11,16,21H,12-15,24H2,1-2H3,(H,25,29)(H,26,31).
What are the key properties of 2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(2-phenoxypropanoyl)imidazolidine-1,2-dicarboxamide?
2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(2-phenoxypropanoyl)imidazolidine-1,2-dicarboxamide has a molecular weight of 455.52 g/mol, XLogP of 1.24, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(2-phenoxypropanoyl)imidazolidine-1,2-dicarboxamide is sourced from PubChem (CID 23963542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).