4-amino-N-[(3-hydroxycyclobutyl)methyl]-3-methoxy-N-methylbenzamide

C14H20N2O3 — CID 104783050

IUPAC4-amino-N-[(3-hydroxycyclobutyl)methyl]-3-methoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)CC2CC(O)C2)ccc1N
InChIInChI=1S/C14H20N2O3/c1-16(8-9-5-11(17)6-9)14(18)10-3-4-12(15)13(7-10)19-2/h3-4,7,9,11,17H,5-6,8,15H2,1-2H3
InChIKeyKSBXIRUXMDEOFN-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.12
Rot. Bonds4

About 4-amino-N-[(3-hydroxycyclobutyl)methyl]-3-methoxy-N-methylbenzamide

4-amino-N-[(3-hydroxycyclobutyl)methyl]-3-methoxy-N-methylbenzamide (PubChem CID 104783050) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-amino-N-[(3-hydroxycyclobutyl)methyl]-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-[(3-hydroxycyclobutyl)methyl]-3-methoxy-N-methylbenzamide
PubChem CID104783050
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-amino-N-[(3-hydroxycyclobutyl)methyl]-3-methoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)CC2CC(O)C2)ccc1N
InChIInChI=1S/C14H20N2O3/c1-16(8-9-5-11(17)6-9)14(18)10-3-4-12(15)13(7-10)19-2/h3-4,7,9,11,17H,5-6,8,15H2,1-2H3
InChIKeyKSBXIRUXMDEOFN-UHFFFAOYSA-N
XLogP1.12
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-methoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 104782905
N-[(3-bromocyclobutyl)methyl]-3-methoxy-N,4-dimethylbenzamide
CID 80676384
4-amino-N-benzyl-3-methoxy-N-methylbenzamide
CID 104782312
methyl 3-[(4-amino-3-methoxybenzoyl)-methylamino]-2-methylpropanoate
CID 104782621
3-methoxy-N,4-dimethyl-N-(piperidin-4-ylmethyl)benzamide
CID 79721035
4-hydroxy-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-3-nitrobenzamide
CID 99637269
4-amino-3-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 104782446
3-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridine-2-carboxamide
CID 104742495
4-amino-N-cyclopropyl-3-methoxy-N-(3-methylbutyl)benzamide
CID 104782560
4-amino-3-methoxy-N,N-dipropylbenzamide
CID 104782274
4-amino-N-cyclopropyl-3-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 104782633
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methoxy-N-methylbenzamide
CID 63688831

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-hydroxycyclobutyl)methyl]-3-methoxy-N-methylbenzamide?
The IUPAC name of 4-amino-N-[(3-hydroxycyclobutyl)methyl]-3-methoxy-N-methylbenzamide (CID 104783050) is 4-amino-N-[(3-hydroxycyclobutyl)methyl]-3-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-amino-N-[(3-hydroxycyclobutyl)methyl]-3-methoxy-N-methylbenzamide?
The canonical SMILES for 4-amino-N-[(3-hydroxycyclobutyl)methyl]-3-methoxy-N-methylbenzamide is COc1cc(C(=O)N(C)CC2CC(O)C2)ccc1N.
What is the InChIKey of 4-amino-N-[(3-hydroxycyclobutyl)methyl]-3-methoxy-N-methylbenzamide?
The InChIKey is KSBXIRUXMDEOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-16(8-9-5-11(17)6-9)14(18)10-3-4-12(15)13(7-10)19-2/h3-4,7,9,11,17H,5-6,8,15H2,1-2H3.
What are the key properties of 4-amino-N-[(3-hydroxycyclobutyl)methyl]-3-methoxy-N-methylbenzamide?
4-amino-N-[(3-hydroxycyclobutyl)methyl]-3-methoxy-N-methylbenzamide has a molecular weight of 264.32 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-hydroxycyclobutyl)methyl]-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 104783050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).