(2R)-2-amino-4-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide

C16H26N2O2 — CID 104903220

IUPAC(2R)-2-amino-4-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide
SMILESCc1ccc(OCC(C)NC(=O)[C@H](N)CC(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-11(2)9-15(17)16(19)18-13(4)10-20-14-7-5-12(3)6-8-14/h5-8,11,13,15H,9-10,17H2,1-4H3,(H,18,19)/t13?,15-/m1/s1
InChIKeyPAUOEHQLIUODGQ-AWKYBWMHSA-N
MW278.40 g/mol
LogP2.25
Rot. Bonds7

About (2R)-2-amino-4-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide

(2R)-2-amino-4-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide (PubChem CID 104903220) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide
PubChem CID104903220
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(2R)-2-amino-4-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide
SMILESCc1ccc(OCC(C)NC(=O)[C@H](N)CC(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-11(2)9-15(17)16(19)18-13(4)10-20-14-7-5-12(3)6-8-14/h5-8,11,13,15H,9-10,17H2,1-4H3,(H,18,19)/t13?,15-/m1/s1
InChIKeyPAUOEHQLIUODGQ-AWKYBWMHSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
CID 61171488
2-amino-3-methoxy-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
CID 81088183
2-amino-3-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide
CID 61170705
2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide
CID 52773928
(2S)-2-amino-4-methyl-N-[(2S)-1-[4-(2-methylpropoxy)phenyl]-3-oxobutan-2-yl]pentanamide
CID 142041291
2-[1-(4-methylphenoxy)propan-2-ylamino]-N-propan-2-ylpropanamide
CID 61168701
N-[1-(4-methylphenoxy)propan-2-yl]-2-phenoxybutanamide
CID 132651239
4-hydroxy-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
CID 79192194
4-methoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide
CID 95179251
N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 92680005
2-amino-3,3,3-trifluoro-2-methyl-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
CID 79793690
2-(2-chlorophenyl)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 133166961

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide (CID 104903220) is (2R)-2-amino-4-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide is Cc1ccc(OCC(C)NC(=O)[C@H](N)CC(C)C)cc1.
What is the InChIKey of (2R)-2-amino-4-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide?
The InChIKey is PAUOEHQLIUODGQ-AWKYBWMHSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(2)9-15(17)16(19)18-13(4)10-20-14-7-5-12(3)6-8-14/h5-8,11,13,15H,9-10,17H2,1-4H3,(H,18,19)/t13?,15-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide?
(2R)-2-amino-4-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide has a molecular weight of 278.40 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide is sourced from PubChem (CID 104903220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).