(2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide

C16H26N2O2 — CID 39378942

IUPAC(2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide
SMILESCC(C)COc1cccc(NC(=O)[C@H](N)CC(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-11(2)8-15(17)16(19)18-13-6-5-7-14(9-13)20-10-12(3)4/h5-7,9,11-12,15H,8,10,17H2,1-4H3,(H,18,19)/t15-/m1/s1
InChIKeyXZUNVIBABMQIMW-OAHLLOKOSA-N
MW278.40 g/mol
LogP3.03
Rot. Bonds7

About (2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide

(2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide (PubChem CID 39378942) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide
PubChem CID39378942
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide
SMILESCC(C)COc1cccc(NC(=O)[C@H](N)CC(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-11(2)8-15(17)16(19)18-13-6-5-7-14(9-13)20-10-12(3)4/h5-7,9,11-12,15H,8,10,17H2,1-4H3,(H,18,19)/t15-/m1/s1
InChIKeyXZUNVIBABMQIMW-OAHLLOKOSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284739
(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 93360101
(2R)-2-amino-N-[3-(cyanomethoxy)phenyl]-4-methylpentanamide
CID 104902849
2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284740
(2S)-2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284742
(2S)-2-amino-4-methyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide;hydrochloride
CID 119727329
2-amino-3,3-dimethyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 76887829
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylpentanamide;hydrochloride
CID 119707765
2-amino-5-methoxy-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 81071451
2-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]pentanamide
CID 24691365
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide (CID 39378942) is (2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide is CC(C)COc1cccc(NC(=O)[C@H](N)CC(C)C)c1.
What is the InChIKey of (2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide?
The InChIKey is XZUNVIBABMQIMW-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(2)8-15(17)16(19)18-13-6-5-7-14(9-13)20-10-12(3)4/h5-7,9,11-12,15H,8,10,17H2,1-4H3,(H,18,19)/t15-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide?
(2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide has a molecular weight of 278.40 g/mol, XLogP of 3.03, 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-[3-(2-methylpropoxy)phenyl]pentanamide is sourced from PubChem (CID 39378942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).