1-[amino(phenyl)methyl]-N,N-diethylcyclobutane-1-carboxamide

C16H24N2O — CID 66709843

IUPAC1-[amino(phenyl)methyl]-N,N-diethylcyclobutane-1-carboxamide
SMILESCCN(CC)C(=O)C1(C(N)c2ccccc2)CCC1
InChIInChI=1S/C16H24N2O/c1-3-18(4-2)15(19)16(11-8-12-16)14(17)13-9-6-5-7-10-13/h5-7,9-10,14H,3-4,8,11-12,17H2,1-2H3
InChIKeyPMJGPRVXIYVNQW-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.73
Rot. Bonds5

About 1-[amino(phenyl)methyl]-N,N-diethylcyclobutane-1-carboxamide

1-[amino(phenyl)methyl]-N,N-diethylcyclobutane-1-carboxamide (PubChem CID 66709843) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[amino(phenyl)methyl]-N,N-diethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-[amino(phenyl)methyl]-N,N-diethylcyclobutane-1-carboxamide
PubChem CID66709843
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[amino(phenyl)methyl]-N,N-diethylcyclobutane-1-carboxamide
SMILESCCN(CC)C(=O)C1(C(N)c2ccccc2)CCC1
InChIInChI=1S/C16H24N2O/c1-3-18(4-2)15(19)16(11-8-12-16)14(17)13-9-6-5-7-10-13/h5-7,9-10,14H,3-4,8,11-12,17H2,1-2H3
InChIKeyPMJGPRVXIYVNQW-UHFFFAOYSA-N
XLogP2.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-[(S)-amino(phenyl)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
CID 102247196
3-amino-N,N-diethyl-2-phenylpropanamide
CID 62876932
1-[amino-(4-ethylsulfanylphenyl)methyl]cyclobutane-1-carboxylic acid
CID 116944096
cis-(1S,2R)-2-[(1R)-1-aminoethyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
CID 11032641
1-[(R)-amino(phenyl)methyl]-N,N-dimethylcyclobutan-1-amine
CID 68559159
[1-(aminomethyl)cyclobutyl]-phenylmethanamine
CID 116943782
(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
(2R,3R)-N,N-diethyl-3-hydroxy-2,3-diphenylpropanamide
CID 10756442
2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 90474492
3-[(2-amino-2-phenylacetyl)-ethylamino]propanoic acid
CID 55060067
2-amino-N-(cyclobutylmethyl)-N-ethyl-2-phenylacetamide
CID 107398345
cis-(1R,2S)-2-[amino(phenyl)methyl]-N,N-diethylcyclopropane-1-carboxamide
CID 71293368

Frequently Asked Questions

What is the IUPAC name of 1-[amino(phenyl)methyl]-N,N-diethylcyclobutane-1-carboxamide?
The IUPAC name of 1-[amino(phenyl)methyl]-N,N-diethylcyclobutane-1-carboxamide (CID 66709843) is 1-[amino(phenyl)methyl]-N,N-diethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-[amino(phenyl)methyl]-N,N-diethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-[amino(phenyl)methyl]-N,N-diethylcyclobutane-1-carboxamide is CCN(CC)C(=O)C1(C(N)c2ccccc2)CCC1.
What is the InChIKey of 1-[amino(phenyl)methyl]-N,N-diethylcyclobutane-1-carboxamide?
The InChIKey is PMJGPRVXIYVNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-18(4-2)15(19)16(11-8-12-16)14(17)13-9-6-5-7-10-13/h5-7,9-10,14H,3-4,8,11-12,17H2,1-2H3.
What are the key properties of 1-[amino(phenyl)methyl]-N,N-diethylcyclobutane-1-carboxamide?
1-[amino(phenyl)methyl]-N,N-diethylcyclobutane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(phenyl)methyl]-N,N-diethylcyclobutane-1-carboxamide is sourced from PubChem (CID 66709843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).