(2S)-2-(azepan-1-yl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]propanamide

C15H30N2O2 — CID 129378274

IUPAC(2S)-2-(azepan-1-yl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]propanamide
SMILESC[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)C[C@H](C)O
InChIInChI=1S/C15H30N2O2/c1-12(10-13(2)18)11-16-15(19)14(3)17-8-6-4-5-7-9-17/h12-14,18H,4-11H2,1-3H3,(H,16,19)/t12-,13+,14+/m1/s1
InChIKeyUCPWUTNGQFGRQB-RDBSUJKOSA-N
MW270.42 g/mol
LogP1.77
Rot. Bonds6

About (2S)-2-(azepan-1-yl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]propanamide

(2S)-2-(azepan-1-yl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]propanamide (PubChem CID 129378274) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (2S)-2-(azepan-1-yl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(azepan-1-yl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]propanamide
PubChem CID129378274
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name(2S)-2-(azepan-1-yl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]propanamide
SMILESC[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)C[C@H](C)O
InChIInChI=1S/C15H30N2O2/c1-12(10-13(2)18)11-16-15(19)14(3)17-8-6-4-5-7-9-17/h12-14,18H,4-11H2,1-3H3,(H,16,19)/t12-,13+,14+/m1/s1
InChIKeyUCPWUTNGQFGRQB-RDBSUJKOSA-N
XLogP1.77
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-N-(4-hydroxy-2-methylpentyl)propanamide
CID 71984047
2-(azepan-1-yl)-N-[2-(methylamino)propyl]propanamide
CID 120829070
(2R)-2-(azepan-1-yl)-N-[(2R)-2-hydroxy-3-methoxypropyl]propanamide
CID 97236810
(2S)-2-piperidin-1-yl-N-propylpropanamide
CID 95274593
2-piperidin-1-yl-N-prop-2-ynylpropanamide
CID 130156837
N-(2-aminoethyl)-2-(azepan-1-yl)propanamide;dihydrochloride
CID 119382789
2-(azepan-1-yl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]propanamide
CID 111478283
2-(azepan-1-yl)-N-[2-(ethylamino)ethyl]propanamide;dihydrochloride
CID 119505664
2-(azepan-1-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide
CID 111430562
N-(2-amino-2-phenylethyl)-2-(azepan-1-yl)propanamide
CID 119527892
(2R)-2-[2-(azepan-1-yl)propanoylamino]propanoic acid
CID 119370307
(2R)-2-(azepan-1-yl)-N-[2-(cyclopropylmethoxy)ethyl]propanamide
CID 97318732

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(azepan-1-yl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]propanamide?
The IUPAC name of (2S)-2-(azepan-1-yl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]propanamide (CID 129378274) is (2S)-2-(azepan-1-yl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]propanamide.
What is the SMILES notation for (2S)-2-(azepan-1-yl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]propanamide?
The canonical SMILES for (2S)-2-(azepan-1-yl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]propanamide is C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)C[C@H](C)O.
What is the InChIKey of (2S)-2-(azepan-1-yl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]propanamide?
The InChIKey is UCPWUTNGQFGRQB-RDBSUJKOSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12(10-13(2)18)11-16-15(19)14(3)17-8-6-4-5-7-9-17/h12-14,18H,4-11H2,1-3H3,(H,16,19)/t12-,13+,14+/m1/s1.
What are the key properties of (2S)-2-(azepan-1-yl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]propanamide?
(2S)-2-(azepan-1-yl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]propanamide has a molecular weight of 270.42 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(azepan-1-yl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]propanamide is sourced from PubChem (CID 129378274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).