N-cyclopropyl-N-[(2S)-3,3-dimethylpentan-2-yl]-2-methylpropanamide

C14H27NO — CID 170080558

IUPACN-cyclopropyl-N-[(2S)-3,3-dimethylpentan-2-yl]-2-methylpropanamide
SMILESCCC(C)(C)[C@H](C)N(C(=O)C(C)C)C1CC1
InChIInChI=1S/C14H27NO/c1-7-14(5,6)11(4)15(12-8-9-12)13(16)10(2)3/h10-12H,7-9H2,1-6H3/t11-/m0/s1
InChIKeyCYGKGGWLRNBBGW-NSHDSACASA-N
MW225.38 g/mol
LogP3.46
Rot. Bonds5

About N-cyclopropyl-N-[(2S)-3,3-dimethylpentan-2-yl]-2-methylpropanamide

N-cyclopropyl-N-[(2S)-3,3-dimethylpentan-2-yl]-2-methylpropanamide (PubChem CID 170080558) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2S)-3,3-dimethylpentan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2S)-3,3-dimethylpentan-2-yl]-2-methylpropanamide
PubChem CID170080558
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-cyclopropyl-N-[(2S)-3,3-dimethylpentan-2-yl]-2-methylpropanamide
SMILESCCC(C)(C)[C@H](C)N(C(=O)C(C)C)C1CC1
InChIInChI=1S/C14H27NO/c1-7-14(5,6)11(4)15(12-8-9-12)13(16)10(2)3/h10-12H,7-9H2,1-6H3/t11-/m0/s1
InChIKeyCYGKGGWLRNBBGW-NSHDSACASA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2S)-3,3-dimethylpentan-2-yl]-2-methylpropanamide?
The IUPAC name of N-cyclopropyl-N-[(2S)-3,3-dimethylpentan-2-yl]-2-methylpropanamide (CID 170080558) is N-cyclopropyl-N-[(2S)-3,3-dimethylpentan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-cyclopropyl-N-[(2S)-3,3-dimethylpentan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-cyclopropyl-N-[(2S)-3,3-dimethylpentan-2-yl]-2-methylpropanamide is CCC(C)(C)[C@H](C)N(C(=O)C(C)C)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(2S)-3,3-dimethylpentan-2-yl]-2-methylpropanamide?
The InChIKey is CYGKGGWLRNBBGW-NSHDSACASA-N. The full InChI is InChI=1S/C14H27NO/c1-7-14(5,6)11(4)15(12-8-9-12)13(16)10(2)3/h10-12H,7-9H2,1-6H3/t11-/m0/s1.
What are the key properties of N-cyclopropyl-N-[(2S)-3,3-dimethylpentan-2-yl]-2-methylpropanamide?
N-cyclopropyl-N-[(2S)-3,3-dimethylpentan-2-yl]-2-methylpropanamide has a molecular weight of 225.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2S)-3,3-dimethylpentan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 170080558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).