3-amino-2-methyl-N-(3-phenylmethoxypropyl)propanamide

C14H22N2O2 — CID 62670890

IUPAC3-amino-2-methyl-N-(3-phenylmethoxypropyl)propanamide
SMILESCC(CN)C(=O)NCCCOCc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-12(10-15)14(17)16-8-5-9-18-11-13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-11,15H2,1H3,(H,16,17)
InChIKeyCDFOOMBMYCYMOV-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.30
Rot. Bonds8

About 3-amino-2-methyl-N-(3-phenylmethoxypropyl)propanamide

3-amino-2-methyl-N-(3-phenylmethoxypropyl)propanamide (PubChem CID 62670890) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(3-phenylmethoxypropyl)propanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(3-phenylmethoxypropyl)propanamide
PubChem CID62670890
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-2-methyl-N-(3-phenylmethoxypropyl)propanamide
SMILESCC(CN)C(=O)NCCCOCc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-12(10-15)14(17)16-8-5-9-18-11-13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-11,15H2,1H3,(H,16,17)
InChIKeyCDFOOMBMYCYMOV-UHFFFAOYSA-N
XLogP1.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.30
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

2,3-dimethyl-4-oxo-4-(3-phenylmethoxypropylamino)butanoic acid
CID 103496536
(2R)-2-amino-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide
CID 103929639
1-methyl-3-(3-phenylmethoxypropyl)urea
CID 47127496
3-methyl-5-oxo-5-(3-phenylmethoxypropylamino)pentanoic acid
CID 62965038
N-(3-phenylmethoxypropyl)benzamide
CID 60701514
4-amino-N-(4-phenylmethoxybutyl)pentanamide;hydrochloride
CID 120561833
(2S)-2-amino-N-[3-(2-phenylethoxy)propyl]propanamide
CID 119298276
2-methyl-3-(methylamino)-N-[3-(2-phenylethoxy)propyl]propanamide;hydrochloride
CID 119739688
2-amino-N-(3-phenylmethoxypropyl)benzamide
CID 43579724
tert-butyl N-[3-(3-phenylmethoxypropoxy)propyl]carbamate
CID 154638931
2-amino-2-methyl-N-(4-phenylmethoxybutyl)propanamide
CID 119311846
2-(aminomethyl)-3-phenyl-N-(3-propoxypropyl)propanamide
CID 82940849

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(3-phenylmethoxypropyl)propanamide?
The IUPAC name of 3-amino-2-methyl-N-(3-phenylmethoxypropyl)propanamide (CID 62670890) is 3-amino-2-methyl-N-(3-phenylmethoxypropyl)propanamide.
What is the SMILES notation for 3-amino-2-methyl-N-(3-phenylmethoxypropyl)propanamide?
The canonical SMILES for 3-amino-2-methyl-N-(3-phenylmethoxypropyl)propanamide is CC(CN)C(=O)NCCCOCc1ccccc1.
What is the InChIKey of 3-amino-2-methyl-N-(3-phenylmethoxypropyl)propanamide?
The InChIKey is CDFOOMBMYCYMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-12(10-15)14(17)16-8-5-9-18-11-13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-11,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-2-methyl-N-(3-phenylmethoxypropyl)propanamide?
3-amino-2-methyl-N-(3-phenylmethoxypropyl)propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(3-phenylmethoxypropyl)propanamide is sourced from PubChem (CID 62670890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).