(2S)-2-amino-N,3,3-trimethyl-N-(3-phenoxypropyl)butanamide

C16H26N2O2 — CID 61162984

IUPAC(2S)-2-amino-N,3,3-trimethyl-N-(3-phenoxypropyl)butanamide
SMILESCN(CCCOc1ccccc1)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C16H26N2O2/c1-16(2,3)14(17)15(19)18(4)11-8-12-20-13-9-6-5-7-10-13/h5-7,9-10,14H,8,11-12,17H2,1-4H3/t14-/m1/s1
InChIKeyLPSUDIBLSWMZOE-CQSZACIVSA-N
MW278.40 g/mol
LogP2.29
Rot. Bonds6

About (2S)-2-amino-N,3,3-trimethyl-N-(3-phenoxypropyl)butanamide

(2S)-2-amino-N,3,3-trimethyl-N-(3-phenoxypropyl)butanamide (PubChem CID 61162984) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2S)-2-amino-N,3,3-trimethyl-N-(3-phenoxypropyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N,3,3-trimethyl-N-(3-phenoxypropyl)butanamide
PubChem CID61162984
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(2S)-2-amino-N,3,3-trimethyl-N-(3-phenoxypropyl)butanamide
SMILESCN(CCCOc1ccccc1)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C16H26N2O2/c1-16(2,3)14(17)15(19)18(4)11-8-12-20-13-9-6-5-7-10-13/h5-7,9-10,14H,8,11-12,17H2,1-4H3/t14-/m1/s1
InChIKeyLPSUDIBLSWMZOE-CQSZACIVSA-N
XLogP2.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3,3-trimethylbutanamide
CID 103929089
2-bromo-N-methyl-N-(3-phenoxypropyl)butanamide
CID 55125595
N-methyl-N-(3-phenoxypropyl)acetamide
CID 60757278
2-amino-N-methyl-4-methylsulfonyl-N-(3-phenoxypropyl)butanamide;hydrochloride
CID 119956686
N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(3-phenoxypropyl)acetamide
CID 115949786
(2S)-2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 61148158
2-[ethyl(methyl)amino]-N-methyl-N-(3-phenoxypropyl)-2-phenylacetamide
CID 56510183
3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 119294025
2,2,2-trifluoroethyl N-methyl-N-(3-phenoxypropyl)carbamate
CID 65168993
2-(aminomethyl)-N,3-dimethyl-N-(2-phenoxyethyl)butanamide
CID 65229723
3-(aminomethyl)-N-methyl-N-(3-phenoxypropyl)pentanamide
CID 81087362
2-methyl-2-[methyl(3-phenoxypropyl)amino]propanoic acid
CID 62820736

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,3,3-trimethyl-N-(3-phenoxypropyl)butanamide?
The IUPAC name of (2S)-2-amino-N,3,3-trimethyl-N-(3-phenoxypropyl)butanamide (CID 61162984) is (2S)-2-amino-N,3,3-trimethyl-N-(3-phenoxypropyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N,3,3-trimethyl-N-(3-phenoxypropyl)butanamide?
The canonical SMILES for (2S)-2-amino-N,3,3-trimethyl-N-(3-phenoxypropyl)butanamide is CN(CCCOc1ccccc1)C(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N,3,3-trimethyl-N-(3-phenoxypropyl)butanamide?
The InChIKey is LPSUDIBLSWMZOE-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(2,3)14(17)15(19)18(4)11-8-12-20-13-9-6-5-7-10-13/h5-7,9-10,14H,8,11-12,17H2,1-4H3/t14-/m1/s1.
What are the key properties of (2S)-2-amino-N,3,3-trimethyl-N-(3-phenoxypropyl)butanamide?
(2S)-2-amino-N,3,3-trimethyl-N-(3-phenoxypropyl)butanamide has a molecular weight of 278.40 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,3,3-trimethyl-N-(3-phenoxypropyl)butanamide is sourced from PubChem (CID 61162984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).