4-amino-3-(3-methylanilino)-N-propan-2-ylbutanamide

C14H23N3O — CID 66431191

IUPAC4-amino-3-(3-methylanilino)-N-propan-2-ylbutanamide
SMILESCc1cccc(NC(CN)CC(=O)NC(C)C)c1
InChIInChI=1S/C14H23N3O/c1-10(2)16-14(18)8-13(9-15)17-12-6-4-5-11(3)7-12/h4-7,10,13,17H,8-9,15H2,1-3H3,(H,16,18)
InChIKeyYRHPHOBETBXACY-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.65
Rot. Bonds6

About 4-amino-3-(3-methylanilino)-N-propan-2-ylbutanamide

4-amino-3-(3-methylanilino)-N-propan-2-ylbutanamide (PubChem CID 66431191) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-amino-3-(3-methylanilino)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-amino-3-(3-methylanilino)-N-propan-2-ylbutanamide
PubChem CID66431191
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-amino-3-(3-methylanilino)-N-propan-2-ylbutanamide
SMILESCc1cccc(NC(CN)CC(=O)NC(C)C)c1
InChIInChI=1S/C14H23N3O/c1-10(2)16-14(18)8-13(9-15)17-12-6-4-5-11(3)7-12/h4-7,10,13,17H,8-9,15H2,1-3H3,(H,16,18)
InChIKeyYRHPHOBETBXACY-UHFFFAOYSA-N
XLogP1.65
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-(3-bromo-4-fluoroanilino)-N-propan-2-ylbutanamide
CID 104776364
4-amino-3-(3-bromoanilino)-N-ethylbutanamide
CID 66429291
ethyl (2R)-2-(3-methylanilino)propanoate
CID 102078711
4-amino-3-methoxy-N-(3-methylphenyl)butanamide
CID 103154212
(2S)-2-(3-methylanilino)propanoic acid
CID 7148356
3-hydroxy-N-(3-methylphenyl)butanamide
CID 16769880
ethyl 3-methyl-2-(3-methylanilino)butanoate
CID 61318293
4-amino-3-(3-chloroanilino)-N-propylbutanamide
CID 66429319
3-hydroxy-2-(3-methylanilino)propanamide
CID 104711172
N-(1-amino-4-methylpentan-2-yl)-3-(3-methylphenyl)propanamide
CID 63753250
N,N-dimethyl-2-(3-methylanilino)propanamide
CID 43085843
N-(3-methylphenyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 65376750

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-methylanilino)-N-propan-2-ylbutanamide?
The IUPAC name of 4-amino-3-(3-methylanilino)-N-propan-2-ylbutanamide (CID 66431191) is 4-amino-3-(3-methylanilino)-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-amino-3-(3-methylanilino)-N-propan-2-ylbutanamide?
The canonical SMILES for 4-amino-3-(3-methylanilino)-N-propan-2-ylbutanamide is Cc1cccc(NC(CN)CC(=O)NC(C)C)c1.
What is the InChIKey of 4-amino-3-(3-methylanilino)-N-propan-2-ylbutanamide?
The InChIKey is YRHPHOBETBXACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(2)16-14(18)8-13(9-15)17-12-6-4-5-11(3)7-12/h4-7,10,13,17H,8-9,15H2,1-3H3,(H,16,18).
What are the key properties of 4-amino-3-(3-methylanilino)-N-propan-2-ylbutanamide?
4-amino-3-(3-methylanilino)-N-propan-2-ylbutanamide has a molecular weight of 249.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-methylanilino)-N-propan-2-ylbutanamide is sourced from PubChem (CID 66431191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).