4-(methylamino)-N-(1-phenylmethoxypropan-2-yl)butanamide

C15H24N2O2 — CID 119804040

IUPAC4-(methylamino)-N-(1-phenylmethoxypropan-2-yl)butanamide
SMILESCNCCCC(=O)NC(C)COCc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-13(17-15(18)9-6-10-16-2)11-19-12-14-7-4-3-5-8-14/h3-5,7-8,13,16H,6,9-12H2,1-2H3,(H,17,18)
InChIKeyXZGIMEYLHSTSRL-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.71
Rot. Bonds9

About 4-(methylamino)-N-(1-phenylmethoxypropan-2-yl)butanamide

4-(methylamino)-N-(1-phenylmethoxypropan-2-yl)butanamide (PubChem CID 119804040) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-(methylamino)-N-(1-phenylmethoxypropan-2-yl)butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-(1-phenylmethoxypropan-2-yl)butanamide
PubChem CID119804040
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-(methylamino)-N-(1-phenylmethoxypropan-2-yl)butanamide
SMILESCNCCCC(=O)NC(C)COCc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-13(17-15(18)9-6-10-16-2)11-19-12-14-7-4-3-5-8-14/h3-5,7-8,13,16H,6,9-12H2,1-2H3,(H,17,18)
InChIKeyXZGIMEYLHSTSRL-UHFFFAOYSA-N
XLogP1.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.71
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-(methylamino)-N-(1-phenylmethoxypropan-2-yl)acetamide;hydrochloride
CID 119804051
2-amino-N-(1-phenylmethoxypropan-2-yl)acetamide
CID 119335277
4-phenylmethoxy-N-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]butanamide
CID 94363723
4-phenylmethoxy-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]butanamide
CID 49387025
4-phenylmethoxy-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]butanamide
CID 94363724
(2S)-2-amino-N-(1-phenylmethoxypropan-2-yl)propanamide;hydrochloride
CID 119335271
benzyl N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]carbamate
CID 78896816
3-amino-2-methyl-N-(1-phenylmethoxypropan-2-yl)butanamide
CID 120501631
N-(1,2-diphenylethyl)-4-(methylamino)butanamide
CID 119689852
4-(methylamino)-N-(1-phenylbutan-2-yl)butanamide
CID 119766314
ethyl 3-[[(2R)-1-phenylmethoxypropan-2-yl]amino]propanoate
CID 175699812
4-(methylamino)-N-(1-phenylbutan-2-yl)butanamide;hydrochloride
CID 119766313

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(1-phenylmethoxypropan-2-yl)butanamide?
The IUPAC name of 4-(methylamino)-N-(1-phenylmethoxypropan-2-yl)butanamide (CID 119804040) is 4-(methylamino)-N-(1-phenylmethoxypropan-2-yl)butanamide.
What is the SMILES notation for 4-(methylamino)-N-(1-phenylmethoxypropan-2-yl)butanamide?
The canonical SMILES for 4-(methylamino)-N-(1-phenylmethoxypropan-2-yl)butanamide is CNCCCC(=O)NC(C)COCc1ccccc1.
What is the InChIKey of 4-(methylamino)-N-(1-phenylmethoxypropan-2-yl)butanamide?
The InChIKey is XZGIMEYLHSTSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-13(17-15(18)9-6-10-16-2)11-19-12-14-7-4-3-5-8-14/h3-5,7-8,13,16H,6,9-12H2,1-2H3,(H,17,18).
What are the key properties of 4-(methylamino)-N-(1-phenylmethoxypropan-2-yl)butanamide?
4-(methylamino)-N-(1-phenylmethoxypropan-2-yl)butanamide has a molecular weight of 264.37 g/mol, XLogP of 1.71, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(1-phenylmethoxypropan-2-yl)butanamide is sourced from PubChem (CID 119804040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).