3-amino-2-methyl-N-(1-phenylmethoxypropan-2-yl)butanamide

C15H24N2O2 — CID 120501631

IUPAC3-amino-2-methyl-N-(1-phenylmethoxypropan-2-yl)butanamide
SMILESCC(COCc1ccccc1)NC(=O)C(C)C(C)N
InChIInChI=1S/C15H24N2O2/c1-11(17-15(18)12(2)13(3)16)9-19-10-14-7-5-4-6-8-14/h4-8,11-13H,9-10,16H2,1-3H3,(H,17,18)
InChIKeyALOIKRWEFBNOLD-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.69
Rot. Bonds7

About 3-amino-2-methyl-N-(1-phenylmethoxypropan-2-yl)butanamide

3-amino-2-methyl-N-(1-phenylmethoxypropan-2-yl)butanamide (PubChem CID 120501631) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(1-phenylmethoxypropan-2-yl)butanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(1-phenylmethoxypropan-2-yl)butanamide
PubChem CID120501631
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-amino-2-methyl-N-(1-phenylmethoxypropan-2-yl)butanamide
SMILESCC(COCc1ccccc1)NC(=O)C(C)C(C)N
InChIInChI=1S/C15H24N2O2/c1-11(17-15(18)12(2)13(3)16)9-19-10-14-7-5-4-6-8-14/h4-8,11-13H,9-10,16H2,1-3H3,(H,17,18)
InChIKeyALOIKRWEFBNOLD-UHFFFAOYSA-N
XLogP1.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(1-phenylmethoxypropan-2-yl)propanamide;hydrochloride
CID 119335271
2-amino-N-(1-phenylmethoxypropan-2-yl)pentanamide;hydrochloride
CID 119335294
2-amino-N-(1-phenylmethoxypropan-2-yl)acetamide
CID 119335277
benzyl N-[1-(2-phenylmethoxyethoxy)propan-2-yl]carbamate
CID 146517395
2-(methylamino)-N-(1-phenylmethoxypropan-2-yl)acetamide;hydrochloride
CID 119804051
methyl (2R,3R)-3-hydroxy-2-methyl-4-phenylmethoxybutanoate
CID 11459047
2-amino-N-(2-oxopropyl)-3-phenylmethoxypropanamide
CID 143126670
3-N-(1-phenylmethoxypropan-2-yl)butane-2,3-diamine
CID 130995877
methyl 2-(2-methylpropanoylamino)-3-phenylmethoxypropanoate
CID 23559272
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-phenylmethoxypropanoic acid
CID 71421898
(2R)-2-[(3-amino-2-methylbutanoyl)amino]-3-phenylpropanoic acid
CID 104902011
4-(methylamino)-N-(1-phenylmethoxypropan-2-yl)butanamide
CID 119804040

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(1-phenylmethoxypropan-2-yl)butanamide?
The IUPAC name of 3-amino-2-methyl-N-(1-phenylmethoxypropan-2-yl)butanamide (CID 120501631) is 3-amino-2-methyl-N-(1-phenylmethoxypropan-2-yl)butanamide.
What is the SMILES notation for 3-amino-2-methyl-N-(1-phenylmethoxypropan-2-yl)butanamide?
The canonical SMILES for 3-amino-2-methyl-N-(1-phenylmethoxypropan-2-yl)butanamide is CC(COCc1ccccc1)NC(=O)C(C)C(C)N.
What is the InChIKey of 3-amino-2-methyl-N-(1-phenylmethoxypropan-2-yl)butanamide?
The InChIKey is ALOIKRWEFBNOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(17-15(18)12(2)13(3)16)9-19-10-14-7-5-4-6-8-14/h4-8,11-13H,9-10,16H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-2-methyl-N-(1-phenylmethoxypropan-2-yl)butanamide?
3-amino-2-methyl-N-(1-phenylmethoxypropan-2-yl)butanamide has a molecular weight of 264.37 g/mol, XLogP of 1.69, 7 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-(1-phenylmethoxypropan-2-yl)butanamide is sourced from PubChem (CID 120501631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).