N-[(2R)-1-methoxypropan-2-yl]-3-(2-methylanilino)propanamide

C14H22N2O2 — CID 94814438

IUPACN-[(2R)-1-methoxypropan-2-yl]-3-(2-methylanilino)propanamide
SMILESCOC[C@@H](C)NC(=O)CCNc1ccccc1C
InChIInChI=1S/C14H22N2O2/c1-11-6-4-5-7-13(11)15-9-8-14(17)16-12(2)10-18-3/h4-7,12,15H,8-10H2,1-3H3,(H,16,17)/t12-/m1/s1
InChIKeyFHXSIJTZFISUGT-GFCCVEGCSA-N
MW250.34 g/mol
LogP1.95
Rot. Bonds7

About N-[(2R)-1-methoxypropan-2-yl]-3-(2-methylanilino)propanamide

N-[(2R)-1-methoxypropan-2-yl]-3-(2-methylanilino)propanamide (PubChem CID 94814438) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(2R)-1-methoxypropan-2-yl]-3-(2-methylanilino)propanamide.

Molecular Properties

Compound NameN-[(2R)-1-methoxypropan-2-yl]-3-(2-methylanilino)propanamide
PubChem CID94814438
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[(2R)-1-methoxypropan-2-yl]-3-(2-methylanilino)propanamide
SMILESCOC[C@@H](C)NC(=O)CCNc1ccccc1C
InChIInChI=1S/C14H22N2O2/c1-11-6-4-5-7-13(11)15-9-8-14(17)16-12(2)10-18-3/h4-7,12,15H,8-10H2,1-3H3,(H,16,17)/t12-/m1/s1
InChIKeyFHXSIJTZFISUGT-GFCCVEGCSA-N
XLogP1.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-1-methoxypropan-2-yl]-3-(2-methylanilino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloro-3-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 113246770
methyl 3-(2-methylanilino)propanoate
CID 12805940
N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(2-methylanilino)propanamide
CID 52908771
2-(2-methoxyanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 55437645
2-(1-methoxypropan-2-ylamino)-N-(2-methylphenyl)acetamide
CID 43179613
3-(3,4-dimethylphenoxy)-N-[(2R)-1-methoxypropan-2-yl]propanamide
CID 94821099
N-butan-2-yl-3-(2-propan-2-ylanilino)propanamide
CID 109012982
2-(4-chloro-2-methylanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 51726773
2-(2-cyanoanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 60710986
3-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)propanamide
CID 51072977
N-[3-(1-methoxypropan-2-ylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 46573507
N-(1-methoxypropan-2-yl)-3-[2-nitro-4-(trifluoromethyl)anilino]propanamide
CID 51265088

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-3-(2-methylanilino)propanamide?
The IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-3-(2-methylanilino)propanamide (CID 94814438) is N-[(2R)-1-methoxypropan-2-yl]-3-(2-methylanilino)propanamide.
What is the SMILES notation for N-[(2R)-1-methoxypropan-2-yl]-3-(2-methylanilino)propanamide?
The canonical SMILES for N-[(2R)-1-methoxypropan-2-yl]-3-(2-methylanilino)propanamide is COC[C@@H](C)NC(=O)CCNc1ccccc1C.
What is the InChIKey of N-[(2R)-1-methoxypropan-2-yl]-3-(2-methylanilino)propanamide?
The InChIKey is FHXSIJTZFISUGT-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11-6-4-5-7-13(11)15-9-8-14(17)16-12(2)10-18-3/h4-7,12,15H,8-10H2,1-3H3,(H,16,17)/t12-/m1/s1.
What are the key properties of N-[(2R)-1-methoxypropan-2-yl]-3-(2-methylanilino)propanamide?
N-[(2R)-1-methoxypropan-2-yl]-3-(2-methylanilino)propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-methoxypropan-2-yl]-3-(2-methylanilino)propanamide is sourced from PubChem (CID 94814438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).