N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]-2,5-dimethoxyphenyl]benzamide;hydrochloride

C21H26ClN3O4 — CID 119679319

IUPACN-[4-[[2-(cyclopropylmethylamino)acetyl]amino]-2,5-dimethoxyphenyl]benzamide;hydrochloride
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CNCC1CC1.Cl
InChIInChI=1S/C21H25N3O4.ClH/c1-27-18-11-17(24-21(26)15-6-4-3-5-7-15)19(28-2)10-16(18)23-20(25)13-22-12-14-8-9-14;/h3-7,10-11,14,22H,8-9,12-13H2,1-2H3,(H,23,25)(H,24,26);1H
InChIKeyPEPZPGFDTDWLLS-UHFFFAOYSA-N
MW419.91 g/mol
LogP3.32
Rot. Bonds9

About N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]-2,5-dimethoxyphenyl]benzamide;hydrochloride

N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]-2,5-dimethoxyphenyl]benzamide;hydrochloride (PubChem CID 119679319) has the molecular formula C21H26ClN3O4 and a molecular weight of 419.91 g/mol. Its IUPAC name is N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]-2,5-dimethoxyphenyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[[2-(cyclopropylmethylamino)acetyl]amino]-2,5-dimethoxyphenyl]benzamide;hydrochloride
PubChem CID119679319
Molecular FormulaC21H26ClN3O4
Molecular Weight419.91 g/mol
Exact Mass419.16
IUPAC NameN-[4-[[2-(cyclopropylmethylamino)acetyl]amino]-2,5-dimethoxyphenyl]benzamide;hydrochloride
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CNCC1CC1.Cl
InChIInChI=1S/C21H25N3O4.ClH/c1-27-18-11-17(24-21(26)15-6-4-3-5-7-15)19(28-2)10-16(18)23-20(25)13-22-12-14-8-9-14;/h3-7,10-11,14,22H,8-9,12-13H2,1-2H3,(H,23,25)(H,24,26);1H
InChIKeyPEPZPGFDTDWLLS-UHFFFAOYSA-N
XLogP3.32
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.91
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-[4-[[2-[cyclopentyl(methyl)amino]acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 16576405
N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide
CID 40521638
N-(5-acetamido-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119680223
3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide;hydrochloride
CID 119712027
3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide;hydrochloride
CID 119741837
N-[2-(2,5-dimethoxy-4-methylanilino)-2-oxoethyl]benzamide
CID 110792956
2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methoxyphenyl)acetamide
CID 106133704
N-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 60842124
N-[4-[[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 18558158
N-[2,5-dimethoxy-4-[[2-(2-methylindol-1-yl)acetyl]amino]phenyl]benzamide
CID 26705081
ethyl 4-(4-benzamido-2,5-dimethoxyanilino)-4-oxobutanoate
CID 9087779

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]-2,5-dimethoxyphenyl]benzamide;hydrochloride?
The IUPAC name of N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]-2,5-dimethoxyphenyl]benzamide;hydrochloride (CID 119679319) is N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]-2,5-dimethoxyphenyl]benzamide;hydrochloride.
What is the SMILES notation for N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]-2,5-dimethoxyphenyl]benzamide;hydrochloride?
The canonical SMILES for N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]-2,5-dimethoxyphenyl]benzamide;hydrochloride is COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CNCC1CC1.Cl.
What is the InChIKey of N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]-2,5-dimethoxyphenyl]benzamide;hydrochloride?
The InChIKey is PEPZPGFDTDWLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4.ClH/c1-27-18-11-17(24-21(26)15-6-4-3-5-7-15)19(28-2)10-16(18)23-20(25)13-22-12-14-8-9-14;/h3-7,10-11,14,22H,8-9,12-13H2,1-2H3,(H,23,25)(H,24,26);1H.
What are the key properties of N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]-2,5-dimethoxyphenyl]benzamide;hydrochloride?
N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]-2,5-dimethoxyphenyl]benzamide;hydrochloride has a molecular weight of 419.91 g/mol, XLogP of 3.32, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]-2,5-dimethoxyphenyl]benzamide;hydrochloride is sourced from PubChem (CID 119679319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).