4-amino-N-cyclopropyl-3-methoxy-N-(oxolan-3-ylmethyl)benzamide

C16H22N2O3 — CID 104782633

IUPAC4-amino-N-cyclopropyl-3-methoxy-N-(oxolan-3-ylmethyl)benzamide
SMILESCOc1cc(C(=O)N(CC2CCOC2)C2CC2)ccc1N
InChIInChI=1S/C16H22N2O3/c1-20-15-8-12(2-5-14(15)17)16(19)18(13-3-4-13)9-11-6-7-21-10-11/h2,5,8,11,13H,3-4,6-7,9-10,17H2,1H3
InChIKeyUYBYMUFRHBOGKV-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.92
Rot. Bonds5

About 4-amino-N-cyclopropyl-3-methoxy-N-(oxolan-3-ylmethyl)benzamide

4-amino-N-cyclopropyl-3-methoxy-N-(oxolan-3-ylmethyl)benzamide (PubChem CID 104782633) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-3-methoxy-N-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-3-methoxy-N-(oxolan-3-ylmethyl)benzamide
PubChem CID104782633
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-amino-N-cyclopropyl-3-methoxy-N-(oxolan-3-ylmethyl)benzamide
SMILESCOc1cc(C(=O)N(CC2CCOC2)C2CC2)ccc1N
InChIInChI=1S/C16H22N2O3/c1-20-15-8-12(2-5-14(15)17)16(19)18(13-3-4-13)9-11-6-7-21-10-11/h2,5,8,11,13H,3-4,6-7,9-10,17H2,1H3
InChIKeyUYBYMUFRHBOGKV-UHFFFAOYSA-N
XLogP1.92
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
CID 54904600
3-amino-N-ethyl-4-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 61115387
N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 129365728
4-amino-N-cyclopropyl-3-methoxy-N-(3-methylbutyl)benzamide
CID 104782560
oxan-4-ylmethyl 4-amino-3-methoxybenzoate
CID 104783939
N-cyclopropyl-3-methyl-4-nitro-N-(oxolan-3-ylmethyl)benzamide
CID 47922463
3-bromo-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]benzamide
CID 93318244
N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzamide
CID 95054883
3-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
CID 47209992
N-cyclopropyl-2,3-dimethyl-N-(oxolan-3-ylmethyl)-1H-indole-5-carboxamide
CID 87011207
methyl 3-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]carbamoyl]-5-nitrobenzoate
CID 95153456
1-cyclopropyl-3-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea
CID 87039140

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-3-methoxy-N-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of 4-amino-N-cyclopropyl-3-methoxy-N-(oxolan-3-ylmethyl)benzamide (CID 104782633) is 4-amino-N-cyclopropyl-3-methoxy-N-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-3-methoxy-N-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for 4-amino-N-cyclopropyl-3-methoxy-N-(oxolan-3-ylmethyl)benzamide is COc1cc(C(=O)N(CC2CCOC2)C2CC2)ccc1N.
What is the InChIKey of 4-amino-N-cyclopropyl-3-methoxy-N-(oxolan-3-ylmethyl)benzamide?
The InChIKey is UYBYMUFRHBOGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-20-15-8-12(2-5-14(15)17)16(19)18(13-3-4-13)9-11-6-7-21-10-11/h2,5,8,11,13H,3-4,6-7,9-10,17H2,1H3.
What are the key properties of 4-amino-N-cyclopropyl-3-methoxy-N-(oxolan-3-ylmethyl)benzamide?
4-amino-N-cyclopropyl-3-methoxy-N-(oxolan-3-ylmethyl)benzamide has a molecular weight of 290.36 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-3-methoxy-N-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 104782633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).