3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide;hydrochloride

C20H24ClN3O2 — CID 119712027

IUPAC3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)CNCC1CC1.Cl
InChIInChI=1S/C20H23N3O2.ClH/c1-14-7-10-16(20(25)22-17-5-3-2-4-6-17)11-18(14)23-19(24)13-21-12-15-8-9-15;/h2-7,10-11,15,21H,8-9,12-13H2,1H3,(H,22,25)(H,23,24);1H
InChIKeyCRAIGUPHIQVLTH-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.61
Rot. Bonds7

About 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide;hydrochloride

3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide;hydrochloride (PubChem CID 119712027) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide;hydrochloride
PubChem CID119712027
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)CNCC1CC1.Cl
InChIInChI=1S/C20H23N3O2.ClH/c1-14-7-10-16(20(25)22-17-5-3-2-4-6-17)11-18(14)23-19(24)13-21-12-15-8-9-15;/h2-7,10-11,15,21H,8-9,12-13H2,1H3,(H,22,25)(H,23,24);1H
InChIKeyCRAIGUPHIQVLTH-UHFFFAOYSA-N
XLogP3.61
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 119725688
3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide
CID 119712036
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethyl-4-methylbenzamide
CID 60867288
N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]-2,5-dimethoxyphenyl]benzamide;hydrochloride
CID 119679319
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N,3-dimethylbenzamide
CID 60868336
2-[(3-methylcyclopentyl)methylamino]-N-(2-methylphenyl)acetamide
CID 107412858
4-methyl-3-(2-methylpropanoylamino)-N-phenylbenzamide
CID 86977710
3-[(3-aminocyclohexanecarbonyl)amino]-4-methyl-N-phenylbenzamide
CID 119712024
3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide
CID 55788298
4-[[2-(cyclopropylmethylamino)acetyl]amino]benzamide;hydrochloride
CID 119672411
2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 119670640
4-methyl-3-[(2-methyl-2-propan-2-yloxypropanoyl)amino]-N-phenylbenzamide
CID 167818948

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide;hydrochloride?
The IUPAC name of 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide;hydrochloride (CID 119712027) is 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide;hydrochloride.
What is the SMILES notation for 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide;hydrochloride?
The canonical SMILES for 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide;hydrochloride is Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)CNCC1CC1.Cl.
What is the InChIKey of 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide;hydrochloride?
The InChIKey is CRAIGUPHIQVLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2.ClH/c1-14-7-10-16(20(25)22-17-5-3-2-4-6-17)11-18(14)23-19(24)13-21-12-15-8-9-15;/h2-7,10-11,15,21H,8-9,12-13H2,1H3,(H,22,25)(H,23,24);1H.
What are the key properties of 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide;hydrochloride?
3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide;hydrochloride has a molecular weight of 373.88 g/mol, XLogP of 3.61, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide;hydrochloride is sourced from PubChem (CID 119712027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).