N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[cyclohexylmethyl(methyl)amino]acetamide

C16H29N3O — CID 39998240

IUPACN-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[cyclohexylmethyl(methyl)amino]acetamide
SMILESCC(C)[C@@](C)(C#N)NC(=O)CN(C)CC1CCCCC1
InChIInChI=1S/C16H29N3O/c1-13(2)16(3,12-17)18-15(20)11-19(4)10-14-8-6-5-7-9-14/h13-14H,5-11H2,1-4H3,(H,18,20)/t16-/m1/s1
InChIKeyIGBQHMPLSMWDJE-MRXNPFEDSA-N
MW279.43 g/mol
LogP2.55
Rot. Bonds6

About N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[cyclohexylmethyl(methyl)amino]acetamide

N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[cyclohexylmethyl(methyl)amino]acetamide (PubChem CID 39998240) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[cyclohexylmethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[cyclohexylmethyl(methyl)amino]acetamide
PubChem CID39998240
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[cyclohexylmethyl(methyl)amino]acetamide
SMILESCC(C)[C@@](C)(C#N)NC(=O)CN(C)CC1CCCCC1
InChIInChI=1S/C16H29N3O/c1-13(2)16(3,12-17)18-15(20)11-19(4)10-14-8-6-5-7-9-14/h13-14H,5-11H2,1-4H3,(H,18,20)/t16-/m1/s1
InChIKeyIGBQHMPLSMWDJE-MRXNPFEDSA-N
XLogP2.55
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[cyclohexylmethyl(methyl)amino]acetamide?
The IUPAC name of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[cyclohexylmethyl(methyl)amino]acetamide (CID 39998240) is N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[cyclohexylmethyl(methyl)amino]acetamide.
What is the SMILES notation for N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[cyclohexylmethyl(methyl)amino]acetamide?
The canonical SMILES for N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[cyclohexylmethyl(methyl)amino]acetamide is CC(C)[C@@](C)(C#N)NC(=O)CN(C)CC1CCCCC1.
What is the InChIKey of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[cyclohexylmethyl(methyl)amino]acetamide?
The InChIKey is IGBQHMPLSMWDJE-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H29N3O/c1-13(2)16(3,12-17)18-15(20)11-19(4)10-14-8-6-5-7-9-14/h13-14H,5-11H2,1-4H3,(H,18,20)/t16-/m1/s1.
What are the key properties of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[cyclohexylmethyl(methyl)amino]acetamide?
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[cyclohexylmethyl(methyl)amino]acetamide has a molecular weight of 279.43 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[cyclohexylmethyl(methyl)amino]acetamide is sourced from PubChem (CID 39998240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).