N-[(3-aminocyclobutyl)methyl]-4-methoxybenzamide

C13H18N2O2 — CID 66006456

IUPACN-[(3-aminocyclobutyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CC(N)C2)cc1
InChIInChI=1S/C13H18N2O2/c1-17-12-4-2-10(3-5-12)13(16)15-8-9-6-11(14)7-9/h2-5,9,11H,6-8,14H2,1H3,(H,15,16)
InChIKeyHFIPLVZRNRSQPX-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.16
Rot. Bonds4

About N-[(3-aminocyclobutyl)methyl]-4-methoxybenzamide

N-[(3-aminocyclobutyl)methyl]-4-methoxybenzamide (PubChem CID 66006456) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-4-methoxybenzamide
PubChem CID66006456
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[(3-aminocyclobutyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CC(N)C2)cc1
InChIInChI=1S/C13H18N2O2/c1-17-12-4-2-10(3-5-12)13(16)15-8-9-6-11(14)7-9/h2-5,9,11H,6-8,14H2,1H3,(H,15,16)
InChIKeyHFIPLVZRNRSQPX-UHFFFAOYSA-N
XLogP1.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-aminocyclobutyl)methyl]-3,4-dimethoxybenzamide
CID 66004934
N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103691139
4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895310
4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide
CID 16895405
4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895498
N-[(3-aminocyclohexyl)methyl]-4-ethoxybenzamide
CID 106123228
3-[[(4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine
CID 115214033
4-methoxy-N-[[4-[[(4-methylphenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]benzamide
CID 23732897
N-[2-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]ethyl]-4-methoxybenzamide
CID 111867416
N-(cyclohexylmethyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 2083250
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 110640547
4-methoxy-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide
CID 94815305

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]-4-methoxybenzamide?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-4-methoxybenzamide (CID 66006456) is N-[(3-aminocyclobutyl)methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-4-methoxybenzamide?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC2CC(N)C2)cc1.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-4-methoxybenzamide?
The InChIKey is HFIPLVZRNRSQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-12-4-2-10(3-5-12)13(16)15-8-9-6-11(14)7-9/h2-5,9,11H,6-8,14H2,1H3,(H,15,16).
What are the key properties of N-[(3-aminocyclobutyl)methyl]-4-methoxybenzamide?
N-[(3-aminocyclobutyl)methyl]-4-methoxybenzamide has a molecular weight of 234.30 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclobutyl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 66006456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).