3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide;hydrochloride

C16H24ClN3O3 — CID 119741837

IUPAC3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide;hydrochloride
SMILESCOc1ccc(C(=O)N(C)C)cc1NC(=O)CNCC1CC1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-19(2)16(21)12-6-7-14(22-3)13(8-12)18-15(20)10-17-9-11-4-5-11;/h6-8,11,17H,4-5,9-10H2,1-3H3,(H,18,20);1H
InChIKeyWXUBQINGIRPTEI-UHFFFAOYSA-N
MW341.84 g/mol
LogP1.76
Rot. Bonds7

About 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide;hydrochloride

3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide;hydrochloride (PubChem CID 119741837) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide;hydrochloride
PubChem CID119741837
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC Name3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide;hydrochloride
SMILESCOc1ccc(C(=O)N(C)C)cc1NC(=O)CNCC1CC1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-19(2)16(21)12-6-7-14(22-3)13(8-12)18-15(20)10-17-9-11-4-5-11;/h6-8,11,17H,4-5,9-10H2,1-3H3,(H,18,20);1H
InChIKeyWXUBQINGIRPTEI-UHFFFAOYSA-N
XLogP1.76
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119680223
4-methoxy-N,N-dimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119741845
N-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 60842124
N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]-2,5-dimethoxyphenyl]benzamide;hydrochloride
CID 119679319
N-(5-chloro-2-methoxyphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide
CID 119815029
4-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840532
4-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 24614766
N-(2-methoxy-5-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119674247
4-methoxy-N,N-dimethyl-3-(propylcarbamoylamino)benzamide
CID 47325512
2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methoxyphenyl)acetamide
CID 106133704
3-[[2-(4-bromophenoxy)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide
CID 60537519
4-methoxy-N,N-dimethyl-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]benzamide
CID 55893966

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide;hydrochloride?
The IUPAC name of 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide;hydrochloride (CID 119741837) is 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide;hydrochloride.
What is the SMILES notation for 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide;hydrochloride?
The canonical SMILES for 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide;hydrochloride is COc1ccc(C(=O)N(C)C)cc1NC(=O)CNCC1CC1.Cl.
What is the InChIKey of 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide;hydrochloride?
The InChIKey is WXUBQINGIRPTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.ClH/c1-19(2)16(21)12-6-7-14(22-3)13(8-12)18-15(20)10-17-9-11-4-5-11;/h6-8,11,17H,4-5,9-10H2,1-3H3,(H,18,20);1H.
What are the key properties of 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide;hydrochloride?
3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 119741837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).