N-[1-(3-acetamidophenyl)ethyl]-1-(aminomethyl)cyclobutane-1-carboxamide

C16H23N3O2 — CID 115448197

IUPACN-[1-(3-acetamidophenyl)ethyl]-1-(aminomethyl)cyclobutane-1-carboxamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)C2(CN)CCC2)c1
InChIInChI=1S/C16H23N3O2/c1-11(18-15(21)16(10-17)7-4-8-16)13-5-3-6-14(9-13)19-12(2)20/h3,5-6,9,11H,4,7-8,10,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyNCKYMVUQRWRVLQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.95
Rot. Bonds5

About N-[1-(3-acetamidophenyl)ethyl]-1-(aminomethyl)cyclobutane-1-carboxamide

N-[1-(3-acetamidophenyl)ethyl]-1-(aminomethyl)cyclobutane-1-carboxamide (PubChem CID 115448197) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-1-(aminomethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-1-(aminomethyl)cyclobutane-1-carboxamide
PubChem CID115448197
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-1-(aminomethyl)cyclobutane-1-carboxamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)C2(CN)CCC2)c1
InChIInChI=1S/C16H23N3O2/c1-11(18-15(21)16(10-17)7-4-8-16)13-5-3-6-14(9-13)19-12(2)20/h3,5-6,9,11H,4,7-8,10,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyNCKYMVUQRWRVLQ-UHFFFAOYSA-N
XLogP1.95
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclobutane-1-carboxamide
CID 113311577
1-(aminomethyl)-N-(1-phenylethyl)cyclobutane-1-carboxamide
CID 80586699
1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cycloheptane-1-carboxamide
CID 115444286
1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119716410
1-(aminomethyl)-N-(1-phenylethyl)cyclopentane-1-carboxamide
CID 55037856
1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 115453559
N-[1-(3-acetamidophenyl)ethyl]-2-(1-aminocyclobutyl)acetamide
CID 79844247
1-(aminomethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide
CID 119686311
1-(aminomethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]cyclopropane-1-carboxamide
CID 113313018
1-(aminomethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 115452527
1-(aminomethyl)-N-[1-(4-fluorophenyl)ethyl]cyclobutane-1-carboxamide
CID 80588663
1-(aminomethyl)-N-[(1R)-1-pyridin-4-ylethyl]cyclopentane-1-carboxamide
CID 94008169

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-1-(aminomethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-1-(aminomethyl)cyclobutane-1-carboxamide (CID 115448197) is N-[1-(3-acetamidophenyl)ethyl]-1-(aminomethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-1-(aminomethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-1-(aminomethyl)cyclobutane-1-carboxamide is CC(=O)Nc1cccc(C(C)NC(=O)C2(CN)CCC2)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-1-(aminomethyl)cyclobutane-1-carboxamide?
The InChIKey is NCKYMVUQRWRVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(18-15(21)16(10-17)7-4-8-16)13-5-3-6-14(9-13)19-12(2)20/h3,5-6,9,11H,4,7-8,10,17H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-1-(aminomethyl)cyclobutane-1-carboxamide?
N-[1-(3-acetamidophenyl)ethyl]-1-(aminomethyl)cyclobutane-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-1-(aminomethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115448197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).