N-ethyl-N'-[(1S)-2-hydroxy-1-phenylethyl]pentanediamide

C15H22N2O3 — CID 110002001

IUPACN-ethyl-N'-[(1S)-2-hydroxy-1-phenylethyl]pentanediamide
SMILESCCNC(=O)CCCC(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-2-16-14(19)9-6-10-15(20)17-13(11-18)12-7-4-3-5-8-12/h3-5,7-8,13,18H,2,6,9-11H2,1H3,(H,16,19)(H,17,20)/t13-/m1/s1
InChIKeyMHTWUXLTQFFYDZ-CYBMUJFWSA-N
MW278.35 g/mol
LogP1.14
Rot. Bonds8

About N-ethyl-N'-[(1S)-2-hydroxy-1-phenylethyl]pentanediamide

N-ethyl-N'-[(1S)-2-hydroxy-1-phenylethyl]pentanediamide (PubChem CID 110002001) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-ethyl-N'-[(1S)-2-hydroxy-1-phenylethyl]pentanediamide.

Molecular Properties

Compound NameN-ethyl-N'-[(1S)-2-hydroxy-1-phenylethyl]pentanediamide
PubChem CID110002001
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-ethyl-N'-[(1S)-2-hydroxy-1-phenylethyl]pentanediamide
SMILESCCNC(=O)CCCC(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-2-16-14(19)9-6-10-15(20)17-13(11-18)12-7-4-3-5-8-12/h3-5,7-8,13,18H,2,6,9-11H2,1H3,(H,16,19)(H,17,20)/t13-/m1/s1
InChIKeyMHTWUXLTQFFYDZ-CYBMUJFWSA-N
XLogP1.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[5-(ethylamino)-5-oxopentanoyl]amino]-4-phenylbutanoic acid
CID 119201300
N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 107863809
N-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide
CID 63183611
5-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide
CID 107862734
N-[(1S)-2-hydroxy-1-phenylethyl]-5-methoxypentanamide
CID 110001835
N-[(1R)-2-hydroxy-1-phenylethyl]-5-phenylpentanamide
CID 59924200
7-amino-N-(2-hydroxy-1-phenylethyl)heptanamide
CID 63183869
4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide
CID 79203204
N-[(1R)-2-hydroxy-1-phenylethyl]pent-4-enamide
CID 67310926
N-[(1R)-2-hydroxy-1-phenylethyl]-3-methylsulfonylpropanamide
CID 103946356
1-butyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 94740192

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(1S)-2-hydroxy-1-phenylethyl]pentanediamide?
The IUPAC name of N-ethyl-N'-[(1S)-2-hydroxy-1-phenylethyl]pentanediamide (CID 110002001) is N-ethyl-N'-[(1S)-2-hydroxy-1-phenylethyl]pentanediamide.
What is the SMILES notation for N-ethyl-N'-[(1S)-2-hydroxy-1-phenylethyl]pentanediamide?
The canonical SMILES for N-ethyl-N'-[(1S)-2-hydroxy-1-phenylethyl]pentanediamide is CCNC(=O)CCCC(=O)N[C@H](CO)c1ccccc1.
What is the InChIKey of N-ethyl-N'-[(1S)-2-hydroxy-1-phenylethyl]pentanediamide?
The InChIKey is MHTWUXLTQFFYDZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-16-14(19)9-6-10-15(20)17-13(11-18)12-7-4-3-5-8-12/h3-5,7-8,13,18H,2,6,9-11H2,1H3,(H,16,19)(H,17,20)/t13-/m1/s1.
What are the key properties of N-ethyl-N'-[(1S)-2-hydroxy-1-phenylethyl]pentanediamide?
N-ethyl-N'-[(1S)-2-hydroxy-1-phenylethyl]pentanediamide has a molecular weight of 278.35 g/mol, XLogP of 1.14, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(1S)-2-hydroxy-1-phenylethyl]pentanediamide is sourced from PubChem (CID 110002001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).