N-(3-amino-2,2-dimethylpropyl)-N-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C26H32N4O4 — CID 23798631

IUPACN-(3-amino-2,2-dimethylpropyl)-N-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCOc1cccc(C(=O)Nc2ccc(CN(CC(C)(C)CN)C(=O)c3c(C)noc3C)cc2)c1
InChIInChI=1S/C26H32N4O4/c1-17-23(18(2)34-29-17)25(32)30(16-26(3,4)15-27)14-19-9-11-21(12-10-19)28-24(31)20-7-6-8-22(13-20)33-5/h6-13H,14-16,27H2,1-5H3,(H,28,31)
InChIKeyRIFOQNVVXMCQHQ-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.18
Rot. Bonds9

About N-(3-amino-2,2-dimethylpropyl)-N-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-(3-amino-2,2-dimethylpropyl)-N-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 23798631) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID23798631
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCOc1cccc(C(=O)Nc2ccc(CN(CC(C)(C)CN)C(=O)c3c(C)noc3C)cc2)c1
InChIInChI=1S/C26H32N4O4/c1-17-23(18(2)34-29-17)25(32)30(16-26(3,4)15-27)14-19-9-11-21(12-10-19)28-24(31)20-7-6-8-22(13-20)33-5/h6-13H,14-16,27H2,1-5H3,(H,28,31)
InChIKeyRIFOQNVVXMCQHQ-UHFFFAOYSA-N
XLogP4.18
TPSA110.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[(3-amino-2,2-dimethylpropyl)-benzoylamino]methyl]-4-chlorophenyl]-3-methoxybenzamide
CID 23736687
N-[4-(diethylcarbamoyl)phenyl]-3-methoxybenzamide
CID 7942192
N-(3-amino-2,2-dimethylpropyl)-N-[(4-benzamidophenyl)methyl]-4-cyanobenzamide
CID 23824787
N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724
3-methoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980344
N-[4-[(3-methoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 780805
N-[4-[[(3-amino-2,2-dimethylpropyl)-(3-fluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide
CID 23937548
N-(3-amino-2,2-dimethylpropyl)-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-3,4-dimethoxybenzamide
CID 23736138
3-methoxy-N-[4-(3-phenylpropylamino)phenyl]benzamide
CID 112984743
3-methoxy-N-[4-(propylamino)phenyl]benzamide
CID 112979702
tert-butyl N-[3-[4-[(3-methoxybenzoyl)amino]anilino]-3-oxopropyl]carbamate
CID 108919818
N-(3-amino-2,2-dimethylpropyl)-N-[[4-[(4-cyanobenzoyl)amino]phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 23793568

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 23798631) is N-(3-amino-2,2-dimethylpropyl)-N-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is COc1cccc(C(=O)Nc2ccc(CN(CC(C)(C)CN)C(=O)c3c(C)noc3C)cc2)c1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is RIFOQNVVXMCQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-17-23(18(2)34-29-17)25(32)30(16-26(3,4)15-27)14-19-9-11-21(12-10-19)28-24(31)20-7-6-8-22(13-20)33-5/h6-13H,14-16,27H2,1-5H3,(H,28,31).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-N-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 4.18, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 23798631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).