(2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide

C16H26N2O2 — CID 107568369

IUPAC(2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
SMILESCCC[C@H](N)C(=O)NC(C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-5-6-15(17)16(19)18-12(4)13-7-9-14(10-8-13)20-11(2)3/h7-12,15H,5-6,17H2,1-4H3,(H,18,19)/t12?,15-/m0/s1
InChIKeyAKFGZIILHJLUHY-CVRLYYSRSA-N
MW278.40 g/mol
LogP2.78
Rot. Bonds7

About (2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide

(2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide (PubChem CID 107568369) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
PubChem CID107568369
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
SMILESCCC[C@H](N)C(=O)NC(C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-5-6-15(17)16(19)18-12(4)13-7-9-14(10-8-13)20-11(2)3/h7-12,15H,5-6,17H2,1-4H3,(H,18,19)/t12?,15-/m0/s1
InChIKeyAKFGZIILHJLUHY-CVRLYYSRSA-N
XLogP2.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide;hydrochloride
CID 119285670
2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]pentanamide
CID 119311275
2-amino-N-[1-(4-propan-2-ylphenyl)ethyl]pentanamide;hydrochloride
CID 119269406
(2R)-2-amino-N-[1-(4-methylphenyl)ethyl]pentanamide
CID 103794630
2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 43699540
(2S,3S)-2-amino-3-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 61155475
(2R)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pentanamide
CID 103793979
2-amino-N-(4-propan-2-yloxyphenyl)pentanamide;hydrochloride
CID 119280465
2-amino-N-[1-(4-ethoxyphenyl)ethyl]hexanamide
CID 60854414
(2R)-2-amino-N-[(1R)-1-pyridin-4-ylethyl]pentanamide
CID 107570248
(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 107569368
(2S)-2-amino-N-[1-(4-methoxyphenyl)ethyl]butanamide
CID 66196419

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide (CID 107568369) is (2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide is CCC[C@H](N)C(=O)NC(C)c1ccc(OC(C)C)cc1.
What is the InChIKey of (2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide?
The InChIKey is AKFGZIILHJLUHY-CVRLYYSRSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-6-15(17)16(19)18-12(4)13-7-9-14(10-8-13)20-11(2)3/h7-12,15H,5-6,17H2,1-4H3,(H,18,19)/t12?,15-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide?
(2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide has a molecular weight of 278.40 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide is sourced from PubChem (CID 107568369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).