(2R)-2-methyl-N-(3-phenylpropyl)butanamide

C14H21NO — CID 94018072

IUPAC(2R)-2-methyl-N-(3-phenylpropyl)butanamide
SMILESCC[C@@H](C)C(=O)NCCCc1ccccc1
InChIInChI=1S/C14H21NO/c1-3-12(2)14(16)15-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,15,16)/t12-/m1/s1
InChIKeyAIMDRQSGPAJVJH-GFCCVEGCSA-N
MW219.33 g/mol
LogP2.78
Rot. Bonds6

About (2R)-2-methyl-N-(3-phenylpropyl)butanamide

(2R)-2-methyl-N-(3-phenylpropyl)butanamide (PubChem CID 94018072) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (2R)-2-methyl-N-(3-phenylpropyl)butanamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-(3-phenylpropyl)butanamide
PubChem CID94018072
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(2R)-2-methyl-N-(3-phenylpropyl)butanamide
SMILESCC[C@@H](C)C(=O)NCCCc1ccccc1
InChIInChI=1S/C14H21NO/c1-3-12(2)14(16)15-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,15,16)/t12-/m1/s1
InChIKeyAIMDRQSGPAJVJH-GFCCVEGCSA-N
XLogP2.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-(3-phenylpropyl)butanamide
CID 79024488
N-(3-phenylpropyl)-2-sulfanylpropanamide
CID 107023594
(2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide
CID 22690930
(2S)-2-phenyl-N-(3-phenylpropyl)butanamide
CID 2300118
(2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride
CID 70408513
[(2S)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamic acid
CID 70494365
N'-[(2S)-butan-2-yl]-N-(3-phenylpropyl)oxamide
CID 124506857
(2S,3R)-2-(carbamoylamino)-3-methyl-N-(3-phenylpropyl)pentanamide
CID 2562392
N-butyl-2-methyl-3-phenylpropanamide
CID 70830385
(2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide
CID 22691113
(2R)-2-(carbamoylamino)-N-(3-phenylpropyl)propanamide
CID 94187133
1-ethyl-3-(3-phenylpropyl)urea
CID 11769661

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-(3-phenylpropyl)butanamide?
The IUPAC name of (2R)-2-methyl-N-(3-phenylpropyl)butanamide (CID 94018072) is (2R)-2-methyl-N-(3-phenylpropyl)butanamide.
What is the SMILES notation for (2R)-2-methyl-N-(3-phenylpropyl)butanamide?
The canonical SMILES for (2R)-2-methyl-N-(3-phenylpropyl)butanamide is CC[C@@H](C)C(=O)NCCCc1ccccc1.
What is the InChIKey of (2R)-2-methyl-N-(3-phenylpropyl)butanamide?
The InChIKey is AIMDRQSGPAJVJH-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-12(2)14(16)15-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,15,16)/t12-/m1/s1.
What are the key properties of (2R)-2-methyl-N-(3-phenylpropyl)butanamide?
(2R)-2-methyl-N-(3-phenylpropyl)butanamide has a molecular weight of 219.33 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-(3-phenylpropyl)butanamide is sourced from PubChem (CID 94018072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).