N-cyclopropyl-2-methyl-N-[(2S)-4-methylpentan-2-yl]propanamide

C13H25NO — CID 153298632

IUPACN-cyclopropyl-2-methyl-N-[(2S)-4-methylpentan-2-yl]propanamide
SMILESCC(C)C[C@H](C)N(C(=O)C(C)C)C1CC1
InChIInChI=1S/C13H25NO/c1-9(2)8-11(5)14(12-6-7-12)13(15)10(3)4/h9-12H,6-8H2,1-5H3/t11-/m0/s1
InChIKeyPNRFGKQXUIUYQX-NSHDSACASA-N
MW211.35 g/mol
LogP3.07
Rot. Bonds5

About N-cyclopropyl-2-methyl-N-[(2S)-4-methylpentan-2-yl]propanamide

N-cyclopropyl-2-methyl-N-[(2S)-4-methylpentan-2-yl]propanamide (PubChem CID 153298632) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-N-[(2S)-4-methylpentan-2-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-N-[(2S)-4-methylpentan-2-yl]propanamide
PubChem CID153298632
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-cyclopropyl-2-methyl-N-[(2S)-4-methylpentan-2-yl]propanamide
SMILESCC(C)C[C@H](C)N(C(=O)C(C)C)C1CC1
InChIInChI=1S/C13H25NO/c1-9(2)8-11(5)14(12-6-7-12)13(15)10(3)4/h9-12H,6-8H2,1-5H3/t11-/m0/s1
InChIKeyPNRFGKQXUIUYQX-NSHDSACASA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclopropyl-2-methyl-N-propan-2-ylpropanamide
CID 110872845
N-cyclopropyl-N-[(2S)-3,3-dimethylpentan-2-yl]-2-methylpropanamide
CID 170080558
N,2-dimethyl-N-[(2R)-4-methylpentan-2-yl]propanamide
CID 153298886
2-amino-N-cyclopropyl-4-methyl-N-propylpentanamide
CID 43270485
2-[cyclopropyl(3,5-dimethylhexanoyl)amino]propanoic acid
CID 119202296
2-[cyclopropyl(2-ethylbutanoyl)amino]propanoic acid
CID 120606607
N-cyclopentyl-N-ethyl-2-methylpropanamide
CID 60738891
N-(2-bromoethyl)-N-cyclopropyl-2-methylpropanamide
CID 80665638
(2R)-2-amino-N-butyl-N-cyclopropyl-4-methylpentanamide
CID 104903070
2-[cyclopentyl(4-methylpentan-2-yl)amino]acetic acid
CID 65058452
3-[cyclopropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid
CID 82323712
2-amino-N-(4-ethylcyclohexyl)-N,4-dimethylpentanamide
CID 54907811

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-N-[(2S)-4-methylpentan-2-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-methyl-N-[(2S)-4-methylpentan-2-yl]propanamide (CID 153298632) is N-cyclopropyl-2-methyl-N-[(2S)-4-methylpentan-2-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-methyl-N-[(2S)-4-methylpentan-2-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-methyl-N-[(2S)-4-methylpentan-2-yl]propanamide is CC(C)C[C@H](C)N(C(=O)C(C)C)C1CC1.
What is the InChIKey of N-cyclopropyl-2-methyl-N-[(2S)-4-methylpentan-2-yl]propanamide?
The InChIKey is PNRFGKQXUIUYQX-NSHDSACASA-N. The full InChI is InChI=1S/C13H25NO/c1-9(2)8-11(5)14(12-6-7-12)13(15)10(3)4/h9-12H,6-8H2,1-5H3/t11-/m0/s1.
What are the key properties of N-cyclopropyl-2-methyl-N-[(2S)-4-methylpentan-2-yl]propanamide?
N-cyclopropyl-2-methyl-N-[(2S)-4-methylpentan-2-yl]propanamide has a molecular weight of 211.35 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-N-[(2S)-4-methylpentan-2-yl]propanamide is sourced from PubChem (CID 153298632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).