N-[3,3-dimethyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]-5-phenyl-2-[1-(phenylmethoxyamino)ethyl]pentanamide

C32H48N4O4 — CID 123695596

IUPACN-[3,3-dimethyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]-5-phenyl-2-[1-(phenylmethoxyamino)ethyl]pentanamide
SMILESCC(NOCc1ccccc1)C(CCCc1ccccc1)C(=O)NC(C(=O)NCCN1CCOCC1)C(C)(C)C
InChIInChI=1S/C32H48N4O4/c1-25(35-40-24-27-14-9-6-10-15-27)28(17-11-16-26-12-7-5-8-13-26)30(37)34-29(32(2,3)4)31(38)33-18-19-36-20-22-39-23-21-36/h5-10,12-15,25,28-29,35H,11,16-24H2,1-4H3,(H,33,38)(H,34,37)
InChIKeyFMGAHAKAGVOPCE-UHFFFAOYSA-N
MW552.76 g/mol
LogP3.71
Rot. Bonds15

About N-[3,3-dimethyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]-5-phenyl-2-[1-(phenylmethoxyamino)ethyl]pentanamide

N-[3,3-dimethyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]-5-phenyl-2-[1-(phenylmethoxyamino)ethyl]pentanamide (PubChem CID 123695596) has the molecular formula C32H48N4O4 and a molecular weight of 552.76 g/mol. Its IUPAC name is N-[3,3-dimethyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]-5-phenyl-2-[1-(phenylmethoxyamino)ethyl]pentanamide.

Molecular Properties

Compound NameN-[3,3-dimethyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]-5-phenyl-2-[1-(phenylmethoxyamino)ethyl]pentanamide
PubChem CID123695596
Molecular FormulaC32H48N4O4
Molecular Weight552.76 g/mol
Exact Mass552.37
IUPAC NameN-[3,3-dimethyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]-5-phenyl-2-[1-(phenylmethoxyamino)ethyl]pentanamide
SMILESCC(NOCc1ccccc1)C(CCCc1ccccc1)C(=O)NC(C(=O)NCCN1CCOCC1)C(C)(C)C
InChIInChI=1S/C32H48N4O4/c1-25(35-40-24-27-14-9-6-10-15-27)28(17-11-16-26-12-7-5-8-13-26)30(37)34-29(32(2,3)4)31(38)33-18-19-36-20-22-39-23-21-36/h5-10,12-15,25,28-29,35H,11,16-24H2,1-4H3,(H,33,38)(H,34,37)
InChIKeyFMGAHAKAGVOPCE-UHFFFAOYSA-N
XLogP3.71
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.76
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[(2S)-3,3-dimethyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]-2-[(1R)-1-[formyl(hydroxy)amino]ethyl]-5-phenylpentanamide
CID 85472541
(2R)-N-[(2S)-3,3-dimethyl-1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-phenylmethoxybutanediamide
CID 88504399
2-[[2-benzyl-3-[formyl(hydroxy)amino]butanoyl]amino]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
CID 123257241
(2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 104983793
(2S,5R)-2-tert-butyl-5-[(1S)-1-[formyl(hydroxy)amino]ethyl]-N-(2-morpholin-4-ylethyl)-4-oxo-8-phenyloctanamide
CID 159421813
2-amino-5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pentanamide
CID 126595681
2-[[2-[(4-chlorophenyl)methyl]-3-[formyl(hydroxy)amino]butanoyl]amino]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
CID 123941296
tert-butyl N-[1-(2-morpholin-4-ylethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 72811822
(2R)-2-[(1S)-1-[formyl(hydroxy)amino]ethyl]-N-[(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-5-phenylpentanamide
CID 85472665
1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-morpholin-4-ylethyl)urea
CID 95178028
3-morpholin-4-yl-N-(2-phenylethyl)propanamide
CID 779164
2-methyl-1-(4-morpholin-4-ylbutyl)-3-(4-phenylbutan-2-yl)guanidine
CID 111171777

Frequently Asked Questions

What is the IUPAC name of N-[3,3-dimethyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]-5-phenyl-2-[1-(phenylmethoxyamino)ethyl]pentanamide?
The IUPAC name of N-[3,3-dimethyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]-5-phenyl-2-[1-(phenylmethoxyamino)ethyl]pentanamide (CID 123695596) is N-[3,3-dimethyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]-5-phenyl-2-[1-(phenylmethoxyamino)ethyl]pentanamide.
What is the SMILES notation for N-[3,3-dimethyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]-5-phenyl-2-[1-(phenylmethoxyamino)ethyl]pentanamide?
The canonical SMILES for N-[3,3-dimethyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]-5-phenyl-2-[1-(phenylmethoxyamino)ethyl]pentanamide is CC(NOCc1ccccc1)C(CCCc1ccccc1)C(=O)NC(C(=O)NCCN1CCOCC1)C(C)(C)C.
What is the InChIKey of N-[3,3-dimethyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]-5-phenyl-2-[1-(phenylmethoxyamino)ethyl]pentanamide?
The InChIKey is FMGAHAKAGVOPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48N4O4/c1-25(35-40-24-27-14-9-6-10-15-27)28(17-11-16-26-12-7-5-8-13-26)30(37)34-29(32(2,3)4)31(38)33-18-19-36-20-22-39-23-21-36/h5-10,12-15,25,28-29,35H,11,16-24H2,1-4H3,(H,33,38)(H,34,37).
What are the key properties of N-[3,3-dimethyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]-5-phenyl-2-[1-(phenylmethoxyamino)ethyl]pentanamide?
N-[3,3-dimethyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]-5-phenyl-2-[1-(phenylmethoxyamino)ethyl]pentanamide has a molecular weight of 552.76 g/mol, XLogP of 3.71, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-dimethyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]-5-phenyl-2-[1-(phenylmethoxyamino)ethyl]pentanamide is sourced from PubChem (CID 123695596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).