2-acetamido-N-methyl-3-phenylmethoxybutanamide;butane;ethane;methanamine

C21H41N3O3 — CID 170755656

IUPAC2-acetamido-N-methyl-3-phenylmethoxybutanamide;butane;ethane;methanamine
SMILESCC.CCCC.CN.CNC(=O)C(NC(C)=O)C(C)OCc1ccccc1
InChIInChI=1S/C14H20N2O3.C4H10.C2H6.CH5N/c1-10(13(14(18)15-3)16-11(2)17)19-9-12-7-5-4-6-8-12;1-3-4-2;2*1-2/h4-8,10,13H,9H2,1-3H3,(H,15,18)(H,16,17);3-4H2,1-2H3;1-2H3;2H2,1H3
InChIKeyKQNDFKUQLTZXII-UHFFFAOYSA-N
MW383.58 g/mol
LogP3.25
Rot. Bonds7

About 2-acetamido-N-methyl-3-phenylmethoxybutanamide;butane;ethane;methanamine

2-acetamido-N-methyl-3-phenylmethoxybutanamide;butane;ethane;methanamine (PubChem CID 170755656) has the molecular formula C21H41N3O3 and a molecular weight of 383.58 g/mol. Its IUPAC name is 2-acetamido-N-methyl-3-phenylmethoxybutanamide;butane;ethane;methanamine.

Molecular Properties

Compound Name2-acetamido-N-methyl-3-phenylmethoxybutanamide;butane;ethane;methanamine
PubChem CID170755656
Molecular FormulaC21H41N3O3
Molecular Weight383.58 g/mol
Exact Mass383.31
IUPAC Name2-acetamido-N-methyl-3-phenylmethoxybutanamide;butane;ethane;methanamine
SMILESCC.CCCC.CN.CNC(=O)C(NC(C)=O)C(C)OCc1ccccc1
InChIInChI=1S/C14H20N2O3.C4H10.C2H6.CH5N/c1-10(13(14(18)15-3)16-11(2)17)19-9-12-7-5-4-6-8-12;1-3-4-2;2*1-2/h4-8,10,13H,9H2,1-3H3,(H,15,18)(H,16,17);3-4H2,1-2H3;1-2H3;2H2,1H3
InChIKeyKQNDFKUQLTZXII-UHFFFAOYSA-N
XLogP3.25
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.58
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-N-methyl-3-(pyridin-3-ylmethoxy)butanamide
CID 164604250
1-methyl-3-(2-phenylmethoxypropanoylamino)urea
CID 47383903
N-(3-hydroxy-4-phenylmethoxypentan-2-yl)acetamide
CID 123756528
3-methyl-2-(2-phenylmethoxypropanoylamino)butanoic acid
CID 43354070
(2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid
CID 10777126
ethyl (2S)-2-[[(2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxybutanoyl]amino]-3-phenylpropanoate
CID 131712163
N-[4-(hydroxymethyl)phenyl]-2-phenylmethoxypropanamide
CID 64792798
benzyl N-[(2S,3R)-1-(4-acetamidoanilino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 2412972
tert-butyl N-[(2S,3R)-1-(4-methoxyanilino)-1-oxo-3-phenylmethoxybutan-2-yl]carbamate
CID 2218191
4-[4-[[(2S,3R)-1-oxo-3-phenylmethoxy-1-(phenylmethoxyamino)butan-2-yl]carbamoyl]phenyl]benzoic acid
CID 87102973
(2R,4S)-2,3-dimethyl-4-phenylmethoxypentanoic acid
CID 134864943
tert-butyl N-[(2S,3R)-1-(benzylamino)-1-oxo-3-phenylmethoxybutan-2-yl]carbamate
CID 7201499

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-methyl-3-phenylmethoxybutanamide;butane;ethane;methanamine?
The IUPAC name of 2-acetamido-N-methyl-3-phenylmethoxybutanamide;butane;ethane;methanamine (CID 170755656) is 2-acetamido-N-methyl-3-phenylmethoxybutanamide;butane;ethane;methanamine.
What is the SMILES notation for 2-acetamido-N-methyl-3-phenylmethoxybutanamide;butane;ethane;methanamine?
The canonical SMILES for 2-acetamido-N-methyl-3-phenylmethoxybutanamide;butane;ethane;methanamine is CC.CCCC.CN.CNC(=O)C(NC(C)=O)C(C)OCc1ccccc1.
What is the InChIKey of 2-acetamido-N-methyl-3-phenylmethoxybutanamide;butane;ethane;methanamine?
The InChIKey is KQNDFKUQLTZXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3.C4H10.C2H6.CH5N/c1-10(13(14(18)15-3)16-11(2)17)19-9-12-7-5-4-6-8-12;1-3-4-2;2*1-2/h4-8,10,13H,9H2,1-3H3,(H,15,18)(H,16,17);3-4H2,1-2H3;1-2H3;2H2,1H3.
What are the key properties of 2-acetamido-N-methyl-3-phenylmethoxybutanamide;butane;ethane;methanamine?
2-acetamido-N-methyl-3-phenylmethoxybutanamide;butane;ethane;methanamine has a molecular weight of 383.58 g/mol, XLogP of 3.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-methyl-3-phenylmethoxybutanamide;butane;ethane;methanamine is sourced from PubChem (CID 170755656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).