2-cyano-2-methyl-N-[(1S)-1-phenylethyl]butanamide

C14H18N2O — CID 114010389

IUPAC2-cyano-2-methyl-N-[(1S)-1-phenylethyl]butanamide
SMILESCCC(C)(C#N)C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C14H18N2O/c1-4-14(3,10-15)13(17)16-11(2)12-8-6-5-7-9-12/h5-9,11H,4H2,1-3H3,(H,16,17)/t11-,14?/m0/s1
InChIKeyKIACCMRZNRRLBD-ZSOXZCCMSA-N
MW230.31 g/mol
LogP2.80
Rot. Bonds4

About 2-cyano-2-methyl-N-[(1S)-1-phenylethyl]butanamide

2-cyano-2-methyl-N-[(1S)-1-phenylethyl]butanamide (PubChem CID 114010389) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-[(1S)-1-phenylethyl]butanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-[(1S)-1-phenylethyl]butanamide
PubChem CID114010389
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-cyano-2-methyl-N-[(1S)-1-phenylethyl]butanamide
SMILESCCC(C)(C#N)C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C14H18N2O/c1-4-14(3,10-15)13(17)16-11(2)12-8-6-5-7-9-12/h5-9,11H,4H2,1-3H3,(H,16,17)/t11-,14?/m0/s1
InChIKeyKIACCMRZNRRLBD-ZSOXZCCMSA-N
XLogP2.80
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
2-bromo-2-methyl-N-(1-phenylethyl)propanamide
CID 82109308
2-(aminomethyl)-2-ethyl-N-[(1S)-1-phenylethyl]butanamide
CID 115432548
3-chloro-2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 63681272
3-amino-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
CID 115426736
2,2-dimethyl-N-(1-phenylethyl)pent-4-enamide
CID 71378994
(2R)-2-amino-2-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 93340243
2,2-diphenyl-N-(1-phenylethyl)propanamide
CID 2939416
3-amino-2,2,3-trimethyl-N-(1-phenylethyl)butanamide
CID 65264623
2,2-dimethyl-N-(1-phenylethyl)-N'-propan-2-ylpropanediamide
CID 108957197
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
2-cyano-N-[(1R)-1-phenylethyl]acetamide
CID 2164179

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methyl-N-[(1S)-1-phenylethyl]butanamide?
The IUPAC name of 2-cyano-2-methyl-N-[(1S)-1-phenylethyl]butanamide (CID 114010389) is 2-cyano-2-methyl-N-[(1S)-1-phenylethyl]butanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-[(1S)-1-phenylethyl]butanamide?
The canonical SMILES for 2-cyano-2-methyl-N-[(1S)-1-phenylethyl]butanamide is CCC(C)(C#N)C(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of 2-cyano-2-methyl-N-[(1S)-1-phenylethyl]butanamide?
The InChIKey is KIACCMRZNRRLBD-ZSOXZCCMSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-14(3,10-15)13(17)16-11(2)12-8-6-5-7-9-12/h5-9,11H,4H2,1-3H3,(H,16,17)/t11-,14?/m0/s1.
What are the key properties of 2-cyano-2-methyl-N-[(1S)-1-phenylethyl]butanamide?
2-cyano-2-methyl-N-[(1S)-1-phenylethyl]butanamide has a molecular weight of 230.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methyl-N-[(1S)-1-phenylethyl]butanamide is sourced from PubChem (CID 114010389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).