N-[(3-aminocyclobutyl)methyl]-3,4-dimethoxybenzamide

C14H20N2O3 — CID 66004934

IUPACN-[(3-aminocyclobutyl)methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CC(N)C2)cc1OC
InChIInChI=1S/C14H20N2O3/c1-18-12-4-3-10(7-13(12)19-2)14(17)16-8-9-5-11(15)6-9/h3-4,7,9,11H,5-6,8,15H2,1-2H3,(H,16,17)
InChIKeyRRCBSAUSFSNOSS-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.17
Rot. Bonds5

About N-[(3-aminocyclobutyl)methyl]-3,4-dimethoxybenzamide

N-[(3-aminocyclobutyl)methyl]-3,4-dimethoxybenzamide (PubChem CID 66004934) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-3,4-dimethoxybenzamide
PubChem CID66004934
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[(3-aminocyclobutyl)methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CC(N)C2)cc1OC
InChIInChI=1S/C14H20N2O3/c1-18-12-4-3-10(7-13(12)19-2)14(17)16-8-9-5-11(15)6-9/h3-4,7,9,11H,5-6,8,15H2,1-2H3,(H,16,17)
InChIKeyRRCBSAUSFSNOSS-UHFFFAOYSA-N
XLogP1.17
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide
CID 106124772
N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 1104771
N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide
CID 103280095
N-[(3-aminocyclobutyl)methyl]-4-methoxybenzamide
CID 66006456
3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110737466
3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide
CID 16788362
N-[(4-aminocyclohexyl)methyl]-4-fluoro-3-methoxybenzamide
CID 106124416
4-amino-3-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107411010
N-(cyclopropylmethyl)-3-methoxy-4-phenylmethoxybenzamide
CID 34822397
3,4-dimethoxy-N-[[1-(3-methylbut-2-enoyl)piperidin-4-yl]methyl]benzamide
CID 108935524
N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935484
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 95214625

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-3,4-dimethoxybenzamide (CID 66004934) is N-[(3-aminocyclobutyl)methyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC2CC(N)C2)cc1OC.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-3,4-dimethoxybenzamide?
The InChIKey is RRCBSAUSFSNOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-12-4-3-10(7-13(12)19-2)14(17)16-8-9-5-11(15)6-9/h3-4,7,9,11H,5-6,8,15H2,1-2H3,(H,16,17).
What are the key properties of N-[(3-aminocyclobutyl)methyl]-3,4-dimethoxybenzamide?
N-[(3-aminocyclobutyl)methyl]-3,4-dimethoxybenzamide has a molecular weight of 264.32 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclobutyl)methyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 66004934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).