2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-methylpentanamide

C18H27ClN2O2 — CID 119749920

IUPAC2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1
InChIInChI=1S/C18H27ClN2O2/c1-3-13(2)16(20)17(22)21-12-18(7-9-23-10-8-18)14-5-4-6-15(19)11-14/h4-6,11,13,16H,3,7-10,12,20H2,1-2H3,(H,21,22)
InChIKeyFEHYTJSEJWZYAU-UHFFFAOYSA-N
MW338.88 g/mol
LogP2.88
Rot. Bonds6

About 2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-methylpentanamide

2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-methylpentanamide (PubChem CID 119749920) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is 2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-methylpentanamide
PubChem CID119749920
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Name2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1
InChIInChI=1S/C18H27ClN2O2/c1-3-13(2)16(20)17(22)21-12-18(7-9-23-10-8-18)14-5-4-6-15(19)11-14/h4-6,11,13,16H,3,7-10,12,20H2,1-2H3,(H,21,22)
InChIKeyFEHYTJSEJWZYAU-UHFFFAOYSA-N
XLogP2.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylbutanamide
CID 94643933
(2R)-2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303940
(2S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-ethoxybutanamide
CID 94669671
2-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-methylpentanamide
CID 119750018
2-(3-chlorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 133186777
2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-methylpentanamide;hydrochloride
CID 119772688
2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxyacetamide
CID 139008870
(2R)-2-amino-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]propanamide;hydrochloride
CID 119303910
(2R)-2-amino-N-[[4-(3-bromophenyl)oxan-4-yl]methyl]propanamide
CID 119297793
(2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303662
(2S)-2-amino-N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-4-methylpentanamide;hydrochloride
CID 119738820
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-4-(2-ethoxyphenoxy)butanamide
CID 52737970

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-methylpentanamide (CID 119749920) is 2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-methylpentanamide is CCC(C)C(N)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1.
What is the InChIKey of 2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-methylpentanamide?
The InChIKey is FEHYTJSEJWZYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O2/c1-3-13(2)16(20)17(22)21-12-18(7-9-23-10-8-18)14-5-4-6-15(19)11-14/h4-6,11,13,16H,3,7-10,12,20H2,1-2H3,(H,21,22).
What are the key properties of 2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-methylpentanamide?
2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-methylpentanamide has a molecular weight of 338.88 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-methylpentanamide is sourced from PubChem (CID 119749920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).