(2S)-2-(4-chlorophenyl)-3-[(4-methoxycyclohexyl)amino]propanamide

C16H23ClN2O2 — CID 67518932

IUPAC(2S)-2-(4-chlorophenyl)-3-[(4-methoxycyclohexyl)amino]propanamide
SMILESCOC1CCC(NCC(C(N)=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN2O2/c1-21-14-8-6-13(7-9-14)19-10-15(16(18)20)11-2-4-12(17)5-3-11/h2-5,13-15,19H,6-10H2,1H3,(H2,18,20)
InChIKeyWXFHCSCDGLFHIZ-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.46
Rot. Bonds6

About (2S)-2-(4-chlorophenyl)-3-[(4-methoxycyclohexyl)amino]propanamide

(2S)-2-(4-chlorophenyl)-3-[(4-methoxycyclohexyl)amino]propanamide (PubChem CID 67518932) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-3-[(4-methoxycyclohexyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-3-[(4-methoxycyclohexyl)amino]propanamide
PubChem CID67518932
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name(2S)-2-(4-chlorophenyl)-3-[(4-methoxycyclohexyl)amino]propanamide
SMILESCOC1CCC(NCC(C(N)=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN2O2/c1-21-14-8-6-13(7-9-14)19-10-15(16(18)20)11-2-4-12(17)5-3-11/h2-5,13-15,19H,6-10H2,1H3,(H2,18,20)
InChIKeyWXFHCSCDGLFHIZ-UHFFFAOYSA-N
XLogP2.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-chloro-2-fluorophenyl)-4-methyl-1-(oxan-4-ylamino)pentan-3-one
CID 59670813
(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(oxan-4-ylamino)pentan-3-one
CID 59670821
(3S)-3-(4-chloro-2-fluorophenyl)-4-(oxan-4-ylamino)butan-2-one
CID 66767479
(2S)-2-(4-chloro-2-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 67518748
(2R)-2-(4-chloro-2-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 67518752
(2S)-2-(4-chloro-3-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 67518892
(2S)-2-(4-chloro-3-fluorophenyl)-3-(oxan-4-ylamino)propanamide
CID 67518906
2-(4-Chloro-3-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 68038447
(3S)-3-(4-chloro-3-fluorophenyl)-4-(oxan-4-ylamino)butan-2-one
CID 68214288
(3R)-3-amino-N-[(2S)-2-(4-chlorophenyl)-3-(methylamino)-3-oxopropyl]-4-(2-fluorophenyl)butanamide
CID 69719899
(2S)-2-(4-chloro-2-fluorophenyl)-3-(oxan-4-ylamino)propanamide
CID 70306588
2-(4-Chloro-2-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 70307614

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-3-[(4-methoxycyclohexyl)amino]propanamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-3-[(4-methoxycyclohexyl)amino]propanamide (CID 67518932) is (2S)-2-(4-chlorophenyl)-3-[(4-methoxycyclohexyl)amino]propanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-3-[(4-methoxycyclohexyl)amino]propanamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-3-[(4-methoxycyclohexyl)amino]propanamide is COC1CCC(NCC(C(N)=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-3-[(4-methoxycyclohexyl)amino]propanamide?
The InChIKey is WXFHCSCDGLFHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-21-14-8-6-13(7-9-14)19-10-15(16(18)20)11-2-4-12(17)5-3-11/h2-5,13-15,19H,6-10H2,1H3,(H2,18,20).
What are the key properties of (2S)-2-(4-chlorophenyl)-3-[(4-methoxycyclohexyl)amino]propanamide?
(2S)-2-(4-chlorophenyl)-3-[(4-methoxycyclohexyl)amino]propanamide has a molecular weight of 310.82 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-3-[(4-methoxycyclohexyl)amino]propanamide is sourced from PubChem (CID 67518932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).