(2S)-2-(azepan-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide

C15H28N2O3 — CID 95934744

IUPAC(2S)-2-(azepan-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
SMILESC[C@@H](C(=O)NCC1(O)CCOCC1)N1CCCCCC1
InChIInChI=1S/C15H28N2O3/c1-13(17-8-4-2-3-5-9-17)14(18)16-12-15(19)6-10-20-11-7-15/h13,19H,2-12H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyDMWCSXHJBPBWBW-ZDUSSCGKSA-N
MW284.40 g/mol
LogP0.91
Rot. Bonds4

About (2S)-2-(azepan-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide

(2S)-2-(azepan-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide (PubChem CID 95934744) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is (2S)-2-(azepan-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(azepan-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
PubChem CID95934744
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name(2S)-2-(azepan-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
SMILESC[C@@H](C(=O)NCC1(O)CCOCC1)N1CCCCCC1
InChIInChI=1S/C15H28N2O3/c1-13(17-8-4-2-3-5-9-17)14(18)16-12-15(19)6-10-20-11-7-15/h13,19H,2-12H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyDMWCSXHJBPBWBW-ZDUSSCGKSA-N
XLogP0.91
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 116153491
(2S)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide
CID 58124625
1-(Azepan-1-yl)-2-(oxan-4-ylmethylamino)propan-1-one
CID 55210543
1-(Azepan-1-yl)-2-(oxan-3-ylamino)propan-1-one
CID 63363706
2-[(1-Hydroxycyclopentyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 65109165
1-(Azepan-1-yl)-2-[(1-hydroxycyclopentyl)methylamino]propan-1-one
CID 65109368
2-[(2-ethyl-2-hydroxybutyl)amino]-N-(oxan-4-yl)acetamide
CID 65111278
1-(Azepan-1-yl)-2-[(2-ethyl-2-hydroxybutyl)amino]propan-1-one
CID 65111779
N-[(4-hydroxyoxan-4-yl)methyl]-1-propan-2-ylpiperidine-2-carboxamide
CID 71983886
2-(azepan-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 71983887
2-(azepan-1-yl)-N-[2-hydroxy-2-(oxan-4-yl)ethyl]propanamide
CID 71990951
2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide
CID 77209457

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(azepan-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide?
The IUPAC name of (2S)-2-(azepan-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide (CID 95934744) is (2S)-2-(azepan-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(azepan-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-(azepan-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide is C[C@@H](C(=O)NCC1(O)CCOCC1)N1CCCCCC1.
What is the InChIKey of (2S)-2-(azepan-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide?
The InChIKey is DMWCSXHJBPBWBW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-13(17-8-4-2-3-5-9-17)14(18)16-12-15(19)6-10-20-11-7-15/h13,19H,2-12H2,1H3,(H,16,18)/t13-/m0/s1.
What are the key properties of (2S)-2-(azepan-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide?
(2S)-2-(azepan-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide has a molecular weight of 284.40 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(azepan-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide is sourced from PubChem (CID 95934744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).