2-(cyclopropylmethylamino)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride

C16H24ClN3O3 — CID 119753123

IUPAC2-(cyclopropylmethylamino)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride
SMILESCOc1ccc(CNC(=O)CNC(=O)CNCC2CC2)cc1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-22-14-6-4-13(5-7-14)9-18-16(21)11-19-15(20)10-17-8-12-2-3-12;/h4-7,12,17H,2-3,8-11H2,1H3,(H,18,21)(H,19,20);1H
InChIKeyVAYSBLDZTXMTBC-UHFFFAOYSA-N
MW341.84 g/mol
LogP0.85
Rot. Bonds9

About 2-(cyclopropylmethylamino)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride (PubChem CID 119753123) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride
PubChem CID119753123
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC Name2-(cyclopropylmethylamino)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride
SMILESCOc1ccc(CNC(=O)CNC(=O)CNCC2CC2)cc1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-22-14-6-4-13(5-7-14)9-18-16(21)11-19-15(20)10-17-8-12-2-3-12;/h4-7,12,17H,2-3,8-11H2,1H3,(H,18,21)(H,19,20);1H
InChIKeyVAYSBLDZTXMTBC-UHFFFAOYSA-N
XLogP0.85
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(cyclopropylmethylamino)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopropylmethylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 119723266
2-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111869260
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119753125
2-(cyclopropylmethylamino)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119678219
2-(cyclopropylmethylamino)-N-[(4-phenoxyphenyl)methyl]acetamide;hydrochloride
CID 119725146
N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 54925408
2-(cyclopropylmethylamino)-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]acetamide
CID 119847908
4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 119701720
N-[4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]butanamide;hydrochloride
CID 119723609
ethyl 4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]benzoate;hydrochloride
CID 119746512
2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119845098
2-(cyclopropylmethylamino)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]acetamide
CID 119815758

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride (CID 119753123) is 2-(cyclopropylmethylamino)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride is COc1ccc(CNC(=O)CNC(=O)CNCC2CC2)cc1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride?
The InChIKey is VAYSBLDZTXMTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.ClH/c1-22-14-6-4-13(5-7-14)9-18-16(21)11-19-15(20)10-17-8-12-2-3-12;/h4-7,12,17H,2-3,8-11H2,1H3,(H,18,21)(H,19,20);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 0.85, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride is sourced from PubChem (CID 119753123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).