3-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]benzamide

C19H22N2O2 — CID 119811442

IUPAC3-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cccc(N)c2)c(OCC2CC2)c1
InChIInChI=1S/C19H22N2O2/c1-13-5-8-16(18(9-13)23-12-14-6-7-14)11-21-19(22)15-3-2-4-17(20)10-15/h2-5,8-10,14H,6-7,11-12,20H2,1H3,(H,21,22)
InChIKeyYKHMJOGCRZDJTA-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.30
Rot. Bonds6

About 3-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]benzamide

3-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]benzamide (PubChem CID 119811442) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]benzamide
PubChem CID119811442
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name3-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cccc(N)c2)c(OCC2CC2)c1
InChIInChI=1S/C19H22N2O2/c1-13-5-8-16(18(9-13)23-12-14-6-7-14)11-21-19(22)15-3-2-4-17(20)10-15/h2-5,8-10,14H,6-7,11-12,20H2,1H3,(H,21,22)
InChIKeyYKHMJOGCRZDJTA-UHFFFAOYSA-N
XLogP3.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119159652
(2S)-2-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-phenylpropanamide
CID 119339475
2-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-4-methylsulfonylbutanamide
CID 119957687
4-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-methoxybutanamide
CID 120593809
1-[(2S)-2-cyclopropyl-2-hydroxyethyl]-3-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]urea
CID 97055333
6-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 71856661
(2S)-2-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119339476
4-(aminomethyl)-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide;hydrochloride
CID 119339674
N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119811417
N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119811430
3-amino-N-(cyclobutylmethyl)benzamide
CID 43298160
N-[[4-methyl-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]benzamide
CID 58653930

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]benzamide?
The IUPAC name of 3-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]benzamide (CID 119811442) is 3-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]benzamide.
What is the SMILES notation for 3-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]benzamide?
The canonical SMILES for 3-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]benzamide is Cc1ccc(CNC(=O)c2cccc(N)c2)c(OCC2CC2)c1.
What is the InChIKey of 3-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]benzamide?
The InChIKey is YKHMJOGCRZDJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13-5-8-16(18(9-13)23-12-14-6-7-14)11-21-19(22)15-3-2-4-17(20)10-15/h2-5,8-10,14H,6-7,11-12,20H2,1H3,(H,21,22).
What are the key properties of 3-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]benzamide?
3-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]benzamide has a molecular weight of 310.40 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]benzamide is sourced from PubChem (CID 119811442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).