3-[[2-(diethylamino)-3-phenylpropyl]carbamoylamino]-N,2-dimethylbenzamide

C23H32N4O2 — CID 86988480

IUPAC3-[[2-(diethylamino)-3-phenylpropyl]carbamoylamino]-N,2-dimethylbenzamide
SMILESCCN(CC)C(CNC(=O)Nc1cccc(C(=O)NC)c1C)Cc1ccccc1
InChIInChI=1S/C23H32N4O2/c1-5-27(6-2)19(15-18-11-8-7-9-12-18)16-25-23(29)26-21-14-10-13-20(17(21)3)22(28)24-4/h7-14,19H,5-6,15-16H2,1-4H3,(H,24,28)(H2,25,26,29)
InChIKeyDDRDAAYGJHXHJQ-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.43
Rot. Bonds9

About 3-[[2-(diethylamino)-3-phenylpropyl]carbamoylamino]-N,2-dimethylbenzamide

3-[[2-(diethylamino)-3-phenylpropyl]carbamoylamino]-N,2-dimethylbenzamide (PubChem CID 86988480) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 3-[[2-(diethylamino)-3-phenylpropyl]carbamoylamino]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-(diethylamino)-3-phenylpropyl]carbamoylamino]-N,2-dimethylbenzamide
PubChem CID86988480
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name3-[[2-(diethylamino)-3-phenylpropyl]carbamoylamino]-N,2-dimethylbenzamide
SMILESCCN(CC)C(CNC(=O)Nc1cccc(C(=O)NC)c1C)Cc1ccccc1
InChIInChI=1S/C23H32N4O2/c1-5-27(6-2)19(15-18-11-8-7-9-12-18)16-25-23(29)26-21-14-10-13-20(17(21)3)22(28)24-4/h7-14,19H,5-6,15-16H2,1-4H3,(H,24,28)(H2,25,26,29)
InChIKeyDDRDAAYGJHXHJQ-UHFFFAOYSA-N
XLogP3.43
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(diethylamino)-3-phenylpropyl]-3-phenylpropanamide
CID 119849948
benzyl N-[(2S)-1-[2-methyl-3-(methylcarbamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 55939917
1-[2-(dimethylamino)-3-phenylpropyl]-3-naphthalen-1-ylurea
CID 18153434
N-[2-(diethylamino)-3-phenylpropyl]-1,3-benzodioxole-4-carboxamide
CID 55835831
3-[(3-chloro-2-methylpropanoyl)amino]-N,2-dimethylbenzamide
CID 55110621
3-[(4-ethylbenzoyl)amino]-N,2-dimethylbenzamide
CID 46461694
N-[2-(diethylamino)-3-phenylpropyl]-4-methylsulfonylbenzamide
CID 43067489
N,2-dimethyl-3-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]benzamide
CID 95154688
2-amino-N-[2-(diethylamino)-3-phenylpropyl]-2-methylpropanamide
CID 119849944
N,2-dimethyl-3-[(4-phenylmethoxybenzoyl)amino]benzamide
CID 46434092
1-[(2S)-2-(diethylamino)-3-phenylpropyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)urea
CID 51945319
3-(2,2-difluoroethylcarbamoylamino)-2-methylbenzoic acid
CID 115408111

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(diethylamino)-3-phenylpropyl]carbamoylamino]-N,2-dimethylbenzamide?
The IUPAC name of 3-[[2-(diethylamino)-3-phenylpropyl]carbamoylamino]-N,2-dimethylbenzamide (CID 86988480) is 3-[[2-(diethylamino)-3-phenylpropyl]carbamoylamino]-N,2-dimethylbenzamide.
What is the SMILES notation for 3-[[2-(diethylamino)-3-phenylpropyl]carbamoylamino]-N,2-dimethylbenzamide?
The canonical SMILES for 3-[[2-(diethylamino)-3-phenylpropyl]carbamoylamino]-N,2-dimethylbenzamide is CCN(CC)C(CNC(=O)Nc1cccc(C(=O)NC)c1C)Cc1ccccc1.
What is the InChIKey of 3-[[2-(diethylamino)-3-phenylpropyl]carbamoylamino]-N,2-dimethylbenzamide?
The InChIKey is DDRDAAYGJHXHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-5-27(6-2)19(15-18-11-8-7-9-12-18)16-25-23(29)26-21-14-10-13-20(17(21)3)22(28)24-4/h7-14,19H,5-6,15-16H2,1-4H3,(H,24,28)(H2,25,26,29).
What are the key properties of 3-[[2-(diethylamino)-3-phenylpropyl]carbamoylamino]-N,2-dimethylbenzamide?
3-[[2-(diethylamino)-3-phenylpropyl]carbamoylamino]-N,2-dimethylbenzamide has a molecular weight of 396.54 g/mol, XLogP of 3.43, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(diethylamino)-3-phenylpropyl]carbamoylamino]-N,2-dimethylbenzamide is sourced from PubChem (CID 86988480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).