(2R)-2-amino-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide

C16H26N2O2 — CID 103929639

IUPAC(2R)-2-amino-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide
SMILESCC(C)(C)[C@@H](N)C(=O)NCCCOCc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-16(2,3)14(17)15(19)18-10-7-11-20-12-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12,17H2,1-3H3,(H,18,19)/t14-/m0/s1
InChIKeyVPJWBFURWAAWJL-AWEZNQCLSA-N
MW278.40 g/mol
LogP2.08
Rot. Bonds7

About (2R)-2-amino-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide

(2R)-2-amino-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide (PubChem CID 103929639) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide
PubChem CID103929639
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(2R)-2-amino-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide
SMILESCC(C)(C)[C@@H](N)C(=O)NCCCOCc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-16(2,3)14(17)15(19)18-10-7-11-20-12-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12,17H2,1-3H3,(H,18,19)/t14-/m0/s1
InChIKeyVPJWBFURWAAWJL-AWEZNQCLSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-methyl-N-(3-phenylmethoxypropyl)propanamide
CID 62670890
2,3-dimethyl-4-oxo-4-(3-phenylmethoxypropylamino)butanoic acid
CID 103496536
(2S)-2-amino-3,3-dimethyl-N-(2-phenylethyl)butanamide;hydrochloride
CID 119670070
tert-butyl N-[3-(3-phenylmethoxypropoxy)propyl]carbamate
CID 154638931
2-amino-2-methyl-N-(4-phenylmethoxybutyl)propanamide
CID 119311846
1-methyl-3-(3-phenylmethoxypropyl)urea
CID 47127496
(2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethylbutanamide;hydrochloride
CID 119675575
2-amino-N-(3-butoxypropyl)-3,3-dimethylbutanamide
CID 115750966
3-methyl-5-oxo-5-(3-phenylmethoxypropylamino)pentanoic acid
CID 62965038
(2S)-2-amino-N-[3-[benzyl(methyl)amino]propyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119835665
N-(3-phenylmethoxypropyl)benzamide
CID 60701514
(2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide
CID 82671375

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide?
The IUPAC name of (2R)-2-amino-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide (CID 103929639) is (2R)-2-amino-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide.
What is the SMILES notation for (2R)-2-amino-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide?
The canonical SMILES for (2R)-2-amino-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide is CC(C)(C)[C@@H](N)C(=O)NCCCOCc1ccccc1.
What is the InChIKey of (2R)-2-amino-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide?
The InChIKey is VPJWBFURWAAWJL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(2,3)14(17)15(19)18-10-7-11-20-12-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12,17H2,1-3H3,(H,18,19)/t14-/m0/s1.
What are the key properties of (2R)-2-amino-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide?
(2R)-2-amino-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide has a molecular weight of 278.40 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide is sourced from PubChem (CID 103929639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).