N-(cyclopropylmethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]-2,2-dimethylpropanamide

C15H29NO — CID 146435919

IUPACN-(cyclopropylmethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]-2,2-dimethylpropanamide
SMILESC[C@H](N(CC1CC1)C(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H29NO/c1-11(14(2,3)4)16(10-12-8-9-12)13(17)15(5,6)7/h11-12H,8-10H2,1-7H3/t11-/m0/s1
InChIKeyQQFNICYNIBVZDR-NSHDSACASA-N
MW239.40 g/mol
LogP3.71
Rot. Bonds3

About N-(cyclopropylmethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]-2,2-dimethylpropanamide

N-(cyclopropylmethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]-2,2-dimethylpropanamide (PubChem CID 146435919) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]-2,2-dimethylpropanamide
PubChem CID146435919
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-(cyclopropylmethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]-2,2-dimethylpropanamide
SMILESC[C@H](N(CC1CC1)C(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H29NO/c1-11(14(2,3)4)16(10-12-8-9-12)13(17)15(5,6)7/h11-12H,8-10H2,1-7H3/t11-/m0/s1
InChIKeyQQFNICYNIBVZDR-NSHDSACASA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[cyclopropylmethyl(propan-2-yl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821381
(2R)-2-amino-N,N-bis(cyclopropylmethyl)-3-methylbutanamide
CID 79012331
(2R)-2-amino-N-(cyclopropylmethyl)-N,3-dimethylbutanamide
CID 79013234
N-(cyclopropylmethyl)-N-(2,3-dimethylbutan-2-yl)-2-methylpropanamide
CID 153298301
N-tert-butyl-N-(cyclopropylmethyl)-2-methylpropanamide
CID 146435466
1-amino-N-(cyclopropylmethyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 65465577
(2R)-2-amino-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylpentanamide
CID 104903331
1-cyclopropyl-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone
CID 63914315
2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801439
N-(cyclopropylmethyl)-N-propan-2-ylbut-2-enamide
CID 112729409
N-[(2S)-3,3-dimethylbutan-2-yl]-N-ethylacetamide
CID 126737316
1-amino-N-(cyclopropylmethyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 55000242

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]-2,2-dimethylpropanamide (CID 146435919) is N-(cyclopropylmethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]-2,2-dimethylpropanamide is C[C@H](N(CC1CC1)C(=O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-(cyclopropylmethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is QQFNICYNIBVZDR-NSHDSACASA-N. The full InChI is InChI=1S/C15H29NO/c1-11(14(2,3)4)16(10-12-8-9-12)13(17)15(5,6)7/h11-12H,8-10H2,1-7H3/t11-/m0/s1.
What are the key properties of N-(cyclopropylmethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]-2,2-dimethylpropanamide?
N-(cyclopropylmethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 239.40 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 146435919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).