N-[(2R,3S)-4-(azepan-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide

C15H30N2O — CID 169251543

IUPACN-[(2R,3S)-4-(azepan-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H](C)[C@@H](C)CN1CCCCCC1
InChIInChI=1S/C15H30N2O/c1-12(2)15(18)16-14(4)13(3)11-17-9-7-5-6-8-10-17/h12-14H,5-11H2,1-4H3,(H,16,18)/t13-,14+/m0/s1
InChIKeyUCNKWFBEUCEIMG-UONOGXRCSA-N
MW254.42 g/mol
LogP2.66
Rot. Bonds5

About N-[(2R,3S)-4-(azepan-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide

N-[(2R,3S)-4-(azepan-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide (PubChem CID 169251543) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[(2R,3S)-4-(azepan-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2R,3S)-4-(azepan-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide
PubChem CID169251543
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[(2R,3S)-4-(azepan-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H](C)[C@@H](C)CN1CCCCCC1
InChIInChI=1S/C15H30N2O/c1-12(2)15(18)16-14(4)13(3)11-17-9-7-5-6-8-10-17/h12-14H,5-11H2,1-4H3,(H,16,18)/t13-,14+/m0/s1
InChIKeyUCNKWFBEUCEIMG-UONOGXRCSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(2R)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]propanamide
CID 167386314
2-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]propanamide
CID 167386473
N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide
CID 167034979
2-methyl-3-oxo-3-(1-piperidin-1-ylpropan-2-ylamino)propanoic acid
CID 114898104
N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 61217024
N-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide
CID 115583840
N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115579823
methyl 2-amino-3-piperidin-1-ylpropanoate
CID 10988984
N-[5-(azepan-1-yl)pentyl]-2-methylpropanamide
CID 110441883
3-amino-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-oxobutanoic acid
CID 64897097
2-amino-3,3-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)butanamide
CID 76893128
2-amino-3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide
CID 54906618

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-4-(azepan-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[(2R,3S)-4-(azepan-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide (CID 169251543) is N-[(2R,3S)-4-(azepan-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(2R,3S)-4-(azepan-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[(2R,3S)-4-(azepan-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide is CC(C)C(=O)N[C@H](C)[C@@H](C)CN1CCCCCC1.
What is the InChIKey of N-[(2R,3S)-4-(azepan-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide?
The InChIKey is UCNKWFBEUCEIMG-UONOGXRCSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12(2)15(18)16-14(4)13(3)11-17-9-7-5-6-8-10-17/h12-14H,5-11H2,1-4H3,(H,16,18)/t13-,14+/m0/s1.
What are the key properties of N-[(2R,3S)-4-(azepan-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide?
N-[(2R,3S)-4-(azepan-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide has a molecular weight of 254.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-4-(azepan-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 169251543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).