1-amino-N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide

C16H25N3O — CID 81172115

IUPAC1-amino-N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide
SMILESCN(C)CCN(Cc1ccccc1)C(=O)C1(N)CCC1
InChIInChI=1S/C16H25N3O/c1-18(2)11-12-19(13-14-7-4-3-5-8-14)15(20)16(17)9-6-10-16/h3-5,7-8H,6,9-13,17H2,1-2H3
InChIKeyFHDNRDKLFQUFFP-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.46
Rot. Bonds6

About 1-amino-N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide

1-amino-N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide (PubChem CID 81172115) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-amino-N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide
PubChem CID81172115
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-amino-N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide
SMILESCN(C)CCN(Cc1ccccc1)C(=O)C1(N)CCC1
InChIInChI=1S/C16H25N3O/c1-18(2)11-12-19(13-14-7-4-3-5-8-14)15(20)16(17)9-6-10-16/h3-5,7-8H,6,9-13,17H2,1-2H3
InChIKeyFHDNRDKLFQUFFP-UHFFFAOYSA-N
XLogP1.46
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 78811308
N-benzyl-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide
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N-benzyl-N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide
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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide (CID 81172115) is 1-amino-N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide is CN(C)CCN(Cc1ccccc1)C(=O)C1(N)CCC1.
What is the InChIKey of 1-amino-N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide?
The InChIKey is FHDNRDKLFQUFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-18(2)11-12-19(13-14-7-4-3-5-8-14)15(20)16(17)9-6-10-16/h3-5,7-8H,6,9-13,17H2,1-2H3.
What are the key properties of 1-amino-N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide?
1-amino-N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 81172115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).