N-[3-(dimethylamino)propyl]-1-phenylcyclobutane-1-carboxamide

C16H24N2O — CID 110437520

IUPACN-[3-(dimethylamino)propyl]-1-phenylcyclobutane-1-carboxamide
SMILESCN(C)CCCNC(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C16H24N2O/c1-18(2)13-7-12-17-15(19)16(10-6-11-16)14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3,(H,17,19)
InChIKeyQZHCCZYDENBLMH-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.18
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-1-phenylcyclobutane-1-carboxamide

N-[3-(dimethylamino)propyl]-1-phenylcyclobutane-1-carboxamide (PubChem CID 110437520) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1-phenylcyclobutane-1-carboxamide
PubChem CID110437520
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[3-(dimethylamino)propyl]-1-phenylcyclobutane-1-carboxamide
SMILESCN(C)CCCNC(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C16H24N2O/c1-18(2)13-7-12-17-15(19)16(10-6-11-16)14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3,(H,17,19)
InChIKeyQZHCCZYDENBLMH-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(N-methylanilino)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 24668035
N-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 110438073
1-(4-aminophenyl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 112558134
N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
CID 119383117
N-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110437951
N-[2-(2-methylpropanoylamino)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 24666491
(3S)-N-[3-(dimethylamino)propyl]-2-oxo-3-phenylpiperidine-3-carboxamide
CID 97356248
1-[3-(dimethylamino)propylamino]ethyl 1-phenylcyclopentane-1-carboxylate
CID 142693281
N-[3-(dimethylamino)propyl]-2-oxo-3-phenylpiperidine-3-carboxamide;hydrobromide
CID 117067971
N-(6-aminohexyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride
CID 142770343
N-(3-iodopropyl)-1-phenylcyclopropane-1-carboxamide
CID 114504381
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1-phenylcyclobutane-1-carboxamide (CID 110437520) is N-[3-(dimethylamino)propyl]-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1-phenylcyclobutane-1-carboxamide is CN(C)CCCNC(=O)C1(c2ccccc2)CCC1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1-phenylcyclobutane-1-carboxamide?
The InChIKey is QZHCCZYDENBLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-18(2)13-7-12-17-15(19)16(10-6-11-16)14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3,(H,17,19).
What are the key properties of N-[3-(dimethylamino)propyl]-1-phenylcyclobutane-1-carboxamide?
N-[3-(dimethylamino)propyl]-1-phenylcyclobutane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 110437520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).