N-(1-amino-2-methylpropan-2-yl)-3-(5-chloro-2-methoxyanilino)propanamide

C14H22ClN3O2 — CID 119525101

IUPACN-(1-amino-2-methylpropan-2-yl)-3-(5-chloro-2-methoxyanilino)propanamide
SMILESCOc1ccc(Cl)cc1NCCC(=O)NC(C)(C)CN
InChIInChI=1S/C14H22ClN3O2/c1-14(2,9-16)18-13(19)6-7-17-11-8-10(15)4-5-12(11)20-3/h4-5,8,17H,6-7,9,16H2,1-3H3,(H,18,19)
InChIKeyDYQRBNGSDOTPIU-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.00
Rot. Bonds7

About N-(1-amino-2-methylpropan-2-yl)-3-(5-chloro-2-methoxyanilino)propanamide

N-(1-amino-2-methylpropan-2-yl)-3-(5-chloro-2-methoxyanilino)propanamide (PubChem CID 119525101) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3-(5-chloro-2-methoxyanilino)propanamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3-(5-chloro-2-methoxyanilino)propanamide
PubChem CID119525101
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3-(5-chloro-2-methoxyanilino)propanamide
SMILESCOc1ccc(Cl)cc1NCCC(=O)NC(C)(C)CN
InChIInChI=1S/C14H22ClN3O2/c1-14(2,9-16)18-13(19)6-7-17-11-8-10(15)4-5-12(11)20-3/h4-5,8,17H,6-7,9,16H2,1-3H3,(H,18,19)
InChIKeyDYQRBNGSDOTPIU-UHFFFAOYSA-N
XLogP2.00
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(5-chloro-2-methoxyanilino)propanoylamino]-2-methylpropanoic acid
CID 119187451
N-(2-aminoethyl)-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride
CID 119385515
3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 109038111
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
2-[3-(5-chloro-2-methoxyanilino)propanoylamino]propanoic acid
CID 119225123
4-[3-(5-chloro-2-methoxyanilino)propanoylamino]benzamide
CID 56784810
3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide
CID 109039179
3-[3-(5-chloro-2-methoxyanilino)propanoylamino]butanoic acid
CID 119220785
3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide
CID 47824653
N-(3-acetylphenyl)-3-(5-chloro-2-methoxyanilino)propanamide
CID 47824671
N-(2,5-dichlorophenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 109040075

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-(5-chloro-2-methoxyanilino)propanamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-(5-chloro-2-methoxyanilino)propanamide (CID 119525101) is N-(1-amino-2-methylpropan-2-yl)-3-(5-chloro-2-methoxyanilino)propanamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3-(5-chloro-2-methoxyanilino)propanamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3-(5-chloro-2-methoxyanilino)propanamide is COc1ccc(Cl)cc1NCCC(=O)NC(C)(C)CN.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3-(5-chloro-2-methoxyanilino)propanamide?
The InChIKey is DYQRBNGSDOTPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-14(2,9-16)18-13(19)6-7-17-11-8-10(15)4-5-12(11)20-3/h4-5,8,17H,6-7,9,16H2,1-3H3,(H,18,19).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3-(5-chloro-2-methoxyanilino)propanamide?
N-(1-amino-2-methylpropan-2-yl)-3-(5-chloro-2-methoxyanilino)propanamide has a molecular weight of 299.80 g/mol, XLogP of 2.00, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-3-(5-chloro-2-methoxyanilino)propanamide is sourced from PubChem (CID 119525101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).