2-amino-N-cyclopropyl-3-methyl-N-[(2-methylphenyl)methyl]butanamide

C16H24N2O — CID 77144458

IUPAC2-amino-N-cyclopropyl-3-methyl-N-[(2-methylphenyl)methyl]butanamide
SMILESCc1ccccc1CN(C(=O)C(N)C(C)C)C1CC1
InChIInChI=1S/C16H24N2O/c1-11(2)15(17)16(19)18(14-8-9-14)10-13-7-5-4-6-12(13)3/h4-7,11,14-15H,8-10,17H2,1-3H3
InChIKeyQZSGLVPPOCHIAY-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.47
Rot. Bonds5

About 2-amino-N-cyclopropyl-3-methyl-N-[(2-methylphenyl)methyl]butanamide

2-amino-N-cyclopropyl-3-methyl-N-[(2-methylphenyl)methyl]butanamide (PubChem CID 77144458) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-3-methyl-N-[(2-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-3-methyl-N-[(2-methylphenyl)methyl]butanamide
PubChem CID77144458
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-amino-N-cyclopropyl-3-methyl-N-[(2-methylphenyl)methyl]butanamide
SMILESCc1ccccc1CN(C(=O)C(N)C(C)C)C1CC1
InChIInChI=1S/C16H24N2O/c1-11(2)15(17)16(19)18(14-8-9-14)10-13-7-5-4-6-12(13)3/h4-7,11,14-15H,8-10,17H2,1-3H3
InChIKeyQZSGLVPPOCHIAY-UHFFFAOYSA-N
XLogP2.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide
CID 61162931
2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 54870992
(2S)-2-amino-N-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 66568347
(2R)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 79011463
(2S)-2-amino-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-methylbutanamide
CID 66568552
2-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 54869781
(2S)-2-amino-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide
CID 61168167
(2R)-2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 54995705
2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide
CID 65229877
3-[cyclopropyl-[(2-methylphenyl)methyl]amino]-2-methylpropanoic acid
CID 82327858
2-amino-N-[(6-bromo-3-pyridinyl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 77144549
(2S,3S)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]pentanamide
CID 61154727

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-3-methyl-N-[(2-methylphenyl)methyl]butanamide?
The IUPAC name of 2-amino-N-cyclopropyl-3-methyl-N-[(2-methylphenyl)methyl]butanamide (CID 77144458) is 2-amino-N-cyclopropyl-3-methyl-N-[(2-methylphenyl)methyl]butanamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-3-methyl-N-[(2-methylphenyl)methyl]butanamide?
The canonical SMILES for 2-amino-N-cyclopropyl-3-methyl-N-[(2-methylphenyl)methyl]butanamide is Cc1ccccc1CN(C(=O)C(N)C(C)C)C1CC1.
What is the InChIKey of 2-amino-N-cyclopropyl-3-methyl-N-[(2-methylphenyl)methyl]butanamide?
The InChIKey is QZSGLVPPOCHIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(2)15(17)16(19)18(14-8-9-14)10-13-7-5-4-6-12(13)3/h4-7,11,14-15H,8-10,17H2,1-3H3.
What are the key properties of 2-amino-N-cyclopropyl-3-methyl-N-[(2-methylphenyl)methyl]butanamide?
2-amino-N-cyclopropyl-3-methyl-N-[(2-methylphenyl)methyl]butanamide has a molecular weight of 260.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-3-methyl-N-[(2-methylphenyl)methyl]butanamide is sourced from PubChem (CID 77144458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).