(2S,3S)-2-amino-3-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide

C17H28N2O2 — CID 61155475

IUPAC(2S,3S)-2-amino-3-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NC(C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-6-12(4)16(18)17(20)19-13(5)14-7-9-15(10-8-14)21-11(2)3/h7-13,16H,6,18H2,1-5H3,(H,19,20)/t12-,13?,16-/m0/s1
InChIKeyQNNBZOCMUMUBIU-BSBHGOPBSA-N
MW292.42 g/mol
LogP3.02
Rot. Bonds7

About (2S,3S)-2-amino-3-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide

(2S,3S)-2-amino-3-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide (PubChem CID 61155475) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
PubChem CID61155475
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name(2S,3S)-2-amino-3-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NC(C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-6-12(4)16(18)17(20)19-13(5)14-7-9-15(10-8-14)21-11(2)3/h7-13,16H,6,18H2,1-5H3,(H,19,20)/t12-,13?,16-/m0/s1
InChIKeyQNNBZOCMUMUBIU-BSBHGOPBSA-N
XLogP3.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.02
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
(2S)-2-amino-N-[1-(4-ethoxyphenyl)ethyl]-3-methylpentanamide
CID 61174084
(2S,3S)-2-amino-3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]pentanamide
CID 61178738
2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 43699540
2-amino-3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride
CID 119815236
2-amino-3-methyl-N-(1-phenylethyl)pentanamide
CID 21475942
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 11565273
(2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 107568369
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride
CID 11565272
2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methylpentanamide
CID 119721222
(2S)-2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 61252821
2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylpentanamide;hydrochloride
CID 119721981

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide (CID 61155475) is (2S,3S)-2-amino-3-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide is CC[C@H](C)[C@H](N)C(=O)NC(C)c1ccc(OC(C)C)cc1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide?
The InChIKey is QNNBZOCMUMUBIU-BSBHGOPBSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-12(4)16(18)17(20)19-13(5)14-7-9-15(10-8-14)21-11(2)3/h7-13,16H,6,18H2,1-5H3,(H,19,20)/t12-,13?,16-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide?
(2S,3S)-2-amino-3-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide has a molecular weight of 292.42 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide is sourced from PubChem (CID 61155475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).