N-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenyl)-4-oxobutanamide

C15H22N2O3 — CID 119523024

IUPACN-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)NC(C)(C)CN)cc1
InChIInChI=1S/C15H22N2O3/c1-15(2,10-16)17-14(19)9-8-13(18)11-4-6-12(20-3)7-5-11/h4-7H,8-10,16H2,1-3H3,(H,17,19)
InChIKeyRGZDRCSLOGINNC-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.51
Rot. Bonds7

About N-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenyl)-4-oxobutanamide

N-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenyl)-4-oxobutanamide (PubChem CID 119523024) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenyl)-4-oxobutanamide
PubChem CID119523024
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)NC(C)(C)CN)cc1
InChIInChI=1S/C15H22N2O3/c1-15(2,10-16)17-14(19)9-8-13(18)11-4-6-12(20-3)7-5-11/h4-7H,8-10,16H2,1-3H3,(H,17,19)
InChIKeyRGZDRCSLOGINNC-UHFFFAOYSA-N
XLogP1.51
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide;hydrochloride
CID 119521442
6-amino-1-(4-methoxyphenyl)-4,4-dimethylhexan-1-one
CID 116574854
N-(1-amino-2,4-dimethylpentan-2-yl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 119598588
4-amino-1-(4-methoxyphenyl)-4-methylpentan-1-one
CID 116571375
N-(2-cyanopropan-2-yl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 110615072
N-methoxy-5-(4-methoxyphenyl)-5-oxopentanamide
CID 47413820
N-(4-acetamidobutyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110609779
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
4-(4-aminophenyl)-N-tert-butyl-4-oxobutanamide
CID 94267745
N-(1-amino-2-methylpropan-2-yl)-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119522331
N-(4-iodophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 84569328
2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one
CID 143304952

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenyl)-4-oxobutanamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenyl)-4-oxobutanamide (CID 119523024) is N-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenyl)-4-oxobutanamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenyl)-4-oxobutanamide is COc1ccc(C(=O)CCC(=O)NC(C)(C)CN)cc1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenyl)-4-oxobutanamide?
The InChIKey is RGZDRCSLOGINNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,10-16)17-14(19)9-8-13(18)11-4-6-12(20-3)7-5-11/h4-7H,8-10,16H2,1-3H3,(H,17,19).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenyl)-4-oxobutanamide?
N-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenyl)-4-oxobutanamide has a molecular weight of 278.35 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 119523024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).