2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N,N-dimethyl-3-phenylpropanamide

C18H26N2O3 — CID 119047530

IUPAC2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N,N-dimethyl-3-phenylpropanamide
SMILESCOC1(CC(=O)NC(Cc2ccccc2)C(=O)N(C)C)CCC1
InChIInChI=1S/C18H26N2O3/c1-20(2)17(22)15(12-14-8-5-4-6-9-14)19-16(21)13-18(23-3)10-7-11-18/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,19,21)
InChIKeyRZKSVKQFDVWWTM-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.76
Rot. Bonds7

About 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N,N-dimethyl-3-phenylpropanamide

2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N,N-dimethyl-3-phenylpropanamide (PubChem CID 119047530) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N,N-dimethyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N,N-dimethyl-3-phenylpropanamide
PubChem CID119047530
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N,N-dimethyl-3-phenylpropanamide
SMILESCOC1(CC(=O)NC(Cc2ccccc2)C(=O)N(C)C)CCC1
InChIInChI=1S/C18H26N2O3/c1-20(2)17(22)15(12-14-8-5-4-6-9-14)19-16(21)13-18(23-3)10-7-11-18/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,19,21)
InChIKeyRZKSVKQFDVWWTM-UHFFFAOYSA-N
XLogP1.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(methylamino)butanamide
CID 119780816
N-(2-amino-1-phenylethyl)-2-(1-methoxycyclobutyl)acetamide
CID 103558356
(2R)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid
CID 104902044
(2S)-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxirane-2-carboxamide
CID 89347210
N'-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]propanediamide
CID 134344773
2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 120687757
N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-3-carboxamide
CID 119780846
2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethyl-3-phenylpropanamide;hydrochloride
CID 120610630
(2R)-N,N-dimethyl-3-phenyl-2-(3-pyridin-3-ylpropanoylamino)propanamide
CID 95617732
N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119780835
3-(dihydroxymethyl)-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxirane-2-carboxamide
CID 54412017
N,N-dimethylacetamide;ethane;methyl 2-acetamido-3-phenylpropanoate
CID 91577350

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N,N-dimethyl-3-phenylpropanamide?
The IUPAC name of 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N,N-dimethyl-3-phenylpropanamide (CID 119047530) is 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N,N-dimethyl-3-phenylpropanamide.
What is the SMILES notation for 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N,N-dimethyl-3-phenylpropanamide?
The canonical SMILES for 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N,N-dimethyl-3-phenylpropanamide is COC1(CC(=O)NC(Cc2ccccc2)C(=O)N(C)C)CCC1.
What is the InChIKey of 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N,N-dimethyl-3-phenylpropanamide?
The InChIKey is RZKSVKQFDVWWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-20(2)17(22)15(12-14-8-5-4-6-9-14)19-16(21)13-18(23-3)10-7-11-18/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,19,21).
What are the key properties of 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N,N-dimethyl-3-phenylpropanamide?
2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N,N-dimethyl-3-phenylpropanamide has a molecular weight of 318.42 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N,N-dimethyl-3-phenylpropanamide is sourced from PubChem (CID 119047530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).