4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N,N-dimethylbenzamide

C16H23N3O2 — CID 119701720

IUPAC4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)CNCC2CC2)cc1
InChIInChI=1S/C16H23N3O2/c1-19(2)16(21)14-7-5-13(6-8-14)10-18-15(20)11-17-9-12-3-4-12/h5-8,12,17H,3-4,9-11H2,1-2H3,(H,18,20)
InChIKeyPHFYIIABUCKQCP-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.00
Rot. Bonds7

About 4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N,N-dimethylbenzamide

4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N,N-dimethylbenzamide (PubChem CID 119701720) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N,N-dimethylbenzamide
PubChem CID119701720
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)CNCC2CC2)cc1
InChIInChI=1S/C16H23N3O2/c1-19(2)16(21)14-7-5-13(6-8-14)10-18-15(20)11-17-9-12-3-4-12/h5-8,12,17H,3-4,9-11H2,1-2H3,(H,18,20)
InChIKeyPHFYIIABUCKQCP-UHFFFAOYSA-N
XLogP1.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]benzoate;hydrochloride
CID 119746512
N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 54925408
2-(cyclopropylmethylamino)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119753123
N,N-dimethyl-4-[[[2-(oxolan-3-yl)acetyl]amino]methyl]benzamide
CID 122566630
2-(cyclopropylmethylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 119723266
N-[4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]butanamide;hydrochloride
CID 119723609
2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
CID 119901424
2-(cyclopropylmethylamino)-N-[(4-phenoxyphenyl)methyl]acetamide;hydrochloride
CID 119725146
2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119845098
N-benzyl-2-(cyclobutylmethylamino)acetamide
CID 43298629
2-(cyclopropylmethylamino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 119730358
2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60915187

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N,N-dimethylbenzamide (CID 119701720) is 4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(CNC(=O)CNCC2CC2)cc1.
What is the InChIKey of 4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N,N-dimethylbenzamide?
The InChIKey is PHFYIIABUCKQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-19(2)16(21)14-7-5-13(6-8-14)10-18-15(20)11-17-9-12-3-4-12/h5-8,12,17H,3-4,9-11H2,1-2H3,(H,18,20).
What are the key properties of 4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N,N-dimethylbenzamide?
4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N,N-dimethylbenzamide has a molecular weight of 289.38 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 119701720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).