1-[2-(dimethylamino)ethyl]-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-phenylurea

C18H30N4O — CID 94802947

IUPAC1-[2-(dimethylamino)ethyl]-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-phenylurea
SMILESCCN1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccccc1
InChIInChI=1S/C18H30N4O/c1-4-21-12-8-11-17(21)15-22(14-13-20(2)3)18(23)19-16-9-6-5-7-10-16/h5-7,9-10,17H,4,8,11-15H2,1-3H3,(H,19,23)/t17-/m0/s1
InChIKeyUSGRYGAYDGZSOJ-KRWDZBQOSA-N
MW318.46 g/mol
LogP2.57
Rot. Bonds7

About 1-[2-(dimethylamino)ethyl]-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-phenylurea

1-[2-(dimethylamino)ethyl]-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-phenylurea (PubChem CID 94802947) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-phenylurea
PubChem CID94802947
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name1-[2-(dimethylamino)ethyl]-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-phenylurea
SMILESCCN1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccccc1
InChIInChI=1S/C18H30N4O/c1-4-21-12-8-11-17(21)15-22(14-13-20(2)3)18(23)19-16-9-6-5-7-10-16/h5-7,9-10,17H,4,8,11-15H2,1-3H3,(H,19,23)/t17-/m0/s1
InChIKeyUSGRYGAYDGZSOJ-KRWDZBQOSA-N
XLogP2.57
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(dimethylamino)ethyl]-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-phenylurea 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

4-[[2-(dimethylamino)ethyl-[(1-ethylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylbenzamide
CID 86777814
1-[2-(dimethylamino)ethyl]-3-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 102558441
1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-phenylurea
CID 1462366
1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-3-phenylurea
CID 1437586
1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylurea
CID 3194547
1-[(1-ethylpyrrolidin-2-yl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-pyridin-3-ylurea
CID 75368878
N-(2-aminophenyl)-4-[[[4-(dimethylamino)phenyl]carbamoyl-[(1-ethylpyrrolidin-2-yl)methyl]amino]methyl]benzamide
CID 58001057
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-phenylpropane-1,3-diamine
CID 79313102
N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyridine-3-carboxamide
CID 51105924
3-cyano-N-[2-(dimethylamino)ethyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]benzamide
CID 94820244
N-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N'-[2-(dimethylamino)ethyl]-N'-[(1-ethylpyrrolidin-2-yl)methyl]oxamide
CID 166401642
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]benzoic acid
CID 79319788

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-phenylurea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-phenylurea (CID 94802947) is 1-[2-(dimethylamino)ethyl]-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-phenylurea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-phenylurea is CCN1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccccc1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-phenylurea?
The InChIKey is USGRYGAYDGZSOJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H30N4O/c1-4-21-12-8-11-17(21)15-22(14-13-20(2)3)18(23)19-16-9-6-5-7-10-16/h5-7,9-10,17H,4,8,11-15H2,1-3H3,(H,19,23)/t17-/m0/s1.
What are the key properties of 1-[2-(dimethylamino)ethyl]-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-phenylurea?
1-[2-(dimethylamino)ethyl]-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-phenylurea has a molecular weight of 318.46 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-phenylurea is sourced from PubChem (CID 94802947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).