4-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide

C12H16N2O3 — CID 89028285

IUPAC4-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2(CO)CC2)ccc1N
InChIInChI=1S/C12H16N2O3/c1-17-10-6-8(2-3-9(10)13)11(16)14-12(7-15)4-5-12/h2-3,6,15H,4-5,7,13H2,1H3,(H,14,16)
InChIKeyDXLKLWLOADYCRU-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.53
Rot. Bonds4

About 4-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide

4-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide (PubChem CID 89028285) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide
PubChem CID89028285
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2(CO)CC2)ccc1N
InChIInChI=1S/C12H16N2O3/c1-17-10-6-8(2-3-9(10)13)11(16)14-12(7-15)4-5-12/h2-3,6,15H,4-5,7,13H2,1H3,(H,14,16)
InChIKeyDXLKLWLOADYCRU-UHFFFAOYSA-N
XLogP0.53
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methoxybenzamide
CID 104782857
N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-methylbenzamide
CID 62516961
N-[1-(hydroxymethyl)cyclopropyl]-3,4-dimethylbenzamide
CID 115764896
N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-nitrobenzamide
CID 115970064
N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide
CID 115764584
4-amino-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide
CID 104783008
4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-methoxybenzamide
CID 104783189
N-[1-(hydroxymethyl)cyclopentyl]-4-methoxy-3-pyridin-2-ylbenzamide
CID 110008383
4-amino-3-methoxy-N-propylbenzamide
CID 67095444
methyl 4-amino-3-methoxybenzoate
CID 602411
4-amino-3-methoxybenzoic acid;ethane
CID 91282219
4-amino-N-(2,2-dimethylbutyl)-3-methoxybenzamide
CID 103459930

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide?
The IUPAC name of 4-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide (CID 89028285) is 4-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide.
What is the SMILES notation for 4-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide?
The canonical SMILES for 4-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide is COc1cc(C(=O)NC2(CO)CC2)ccc1N.
What is the InChIKey of 4-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide?
The InChIKey is DXLKLWLOADYCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-17-10-6-8(2-3-9(10)13)11(16)14-12(7-15)4-5-12/h2-3,6,15H,4-5,7,13H2,1H3,(H,14,16).
What are the key properties of 4-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide?
4-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide has a molecular weight of 236.27 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide is sourced from PubChem (CID 89028285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).