N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide

C16H26N2O2 — CID 119606161

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(C(C)C(=O)NC(C)(CN)C(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-11(2)16(4,10-17)18-15(19)12(3)13-7-6-8-14(9-13)20-5/h6-9,11-12H,10,17H2,1-5H3,(H,18,19)
InChIKeyFUXFBJNJROLSTI-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.29
Rot. Bonds6

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide

N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide (PubChem CID 119606161) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide
PubChem CID119606161
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(C(C)C(=O)NC(C)(CN)C(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-11(2)16(4,10-17)18-15(19)12(3)13-7-6-8-14(9-13)20-5/h6-9,11-12H,10,17H2,1-5H3,(H,18,19)
InChIKeyFUXFBJNJROLSTI-UHFFFAOYSA-N
XLogP2.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride
CID 119606160
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119606053
2,3,3-trimethylbutan-2-yl (2S)-2-(3-methoxyphenyl)propanoate
CID 134966872
N-(2-hydroxypropoxy)-2-(3-methoxyphenyl)propanamide
CID 138015024
N-(1-amino-2,3-dimethylbutan-2-yl)-2-phenoxypropanamide
CID 119608690
(2R)-2-(3-methoxyphenyl)propanamide
CID 130713337
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,5-dimethoxyphenyl)acetamide
CID 119607035
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 119608826
N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzamide;hydrochloride
CID 119606880
2-(3-methoxyphenyl)-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)propanamide
CID 138015020
7-[2-(3-methoxyphenyl)propanoylamino]heptanoic acid
CID 119350863
N-(1-amino-2,3-dimethylbutan-2-yl)-2-iodo-4-methoxybenzamide
CID 119605873

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide (CID 119606161) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide is COc1cccc(C(C)C(=O)NC(C)(CN)C(C)C)c1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide?
The InChIKey is FUXFBJNJROLSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(2)16(4,10-17)18-15(19)12(3)13-7-6-8-14(9-13)20-5/h6-9,11-12H,10,17H2,1-5H3,(H,18,19).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 119606161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).