1-[3-[4-(dimethylamino)phenyl]propyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea

C23H30N4O2 — CID 86988223

IUPAC1-[3-[4-(dimethylamino)phenyl]propyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
SMILESCN(C)c1ccc(CCCNC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C23H30N4O2/c1-26(2)21-13-7-18(8-14-21)6-5-15-24-23(29)25-20-11-9-19(10-12-20)22(28)27-16-3-4-17-27/h7-14H,3-6,15-17H2,1-2H3,(H2,24,25,29)
InChIKeyYFJOLRNIIARXLP-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.74
Rot. Bonds7

About 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea

1-[3-[4-(dimethylamino)phenyl]propyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea (PubChem CID 86988223) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-[3-[4-(dimethylamino)phenyl]propyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
PubChem CID86988223
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name1-[3-[4-(dimethylamino)phenyl]propyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
SMILESCN(C)c1ccc(CCCNC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C23H30N4O2/c1-26(2)21-13-7-18(8-14-21)6-5-15-24-23(29)25-20-11-9-19(10-12-20)22(28)27-16-3-4-17-27/h7-14H,3-6,15-17H2,1-2H3,(H2,24,25,29)
InChIKeyYFJOLRNIIARXLP-UHFFFAOYSA-N
XLogP3.74
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]phenyl]propanamide
CID 86994929
N-[4-(dimethylamino)phenyl]-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044347
1-[3-[4-(dimethylamino)phenyl]propyl]-3-(4-methylsulfonylphenyl)urea
CID 86987517
1-[3-(N-methylanilino)propyl]-3-[4-(piperidine-1-carbonyl)phenyl]thiourea
CID 100742853
1-(2-pyridin-3-ylethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 86988232
1-[3-(N-ethyl-4-methylanilino)propyl]-3-[4-(piperidine-1-carbonyl)phenyl]thiourea
CID 100738747
(4-butylphenyl)-pyrrolidin-1-ylmethanone
CID 60674990
1-(3-hydroxypropyl)-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea
CID 60577432
N-[4-(azepane-1-carbonyl)phenyl]-2-(dimethylamino)acetamide
CID 54843928
4-[[[4-(dimethylamino)phenyl]carbamoylamino]methyl]benzoic acid
CID 108894779
N-cyclopropyl-3-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]benzamide
CID 86988079
[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32770513

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea?
The IUPAC name of 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea (CID 86988223) is 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea.
What is the SMILES notation for 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea?
The canonical SMILES for 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea is CN(C)c1ccc(CCCNC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea?
The InChIKey is YFJOLRNIIARXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-26(2)21-13-7-18(8-14-21)6-5-15-24-23(29)25-20-11-9-19(10-12-20)22(28)27-16-3-4-17-27/h7-14H,3-6,15-17H2,1-2H3,(H2,24,25,29).
What are the key properties of 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea?
1-[3-[4-(dimethylamino)phenyl]propyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea has a molecular weight of 394.52 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 86988223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).