1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea

C19H27N3O3 — CID 111479609

IUPAC1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
SMILESCN(C)c1ccc(CCCNC(=O)NCC(C)(O)c2ccco2)cc1
InChIInChI=1S/C19H27N3O3/c1-19(24,17-7-5-13-25-17)14-21-18(23)20-12-4-6-15-8-10-16(11-9-15)22(2)3/h5,7-11,13,24H,4,6,12,14H2,1-3H3,(H2,20,21,23)
InChIKeyFFDXYAVVZCTQFB-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.49
Rot. Bonds8

About 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea

1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea (PubChem CID 111479609) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea.

Molecular Properties

Compound Name1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
PubChem CID111479609
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
SMILESCN(C)c1ccc(CCCNC(=O)NCC(C)(O)c2ccco2)cc1
InChIInChI=1S/C19H27N3O3/c1-19(24,17-7-5-13-25-17)14-21-18(23)20-12-4-6-15-8-10-16(11-9-15)22(2)3/h5,7-11,13,24H,4,6,12,14H2,1-3H3,(H2,20,21,23)
InChIKeyFFDXYAVVZCTQFB-UHFFFAOYSA-N
XLogP2.49
TPSA77.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea 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

1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(3-phenylpropyl)urea
CID 95983781
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
CID 111470868
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-prop-2-enylsulfanylethyl)urea
CID 111480757
N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methylsulfonylphenyl)propanamide
CID 100701375
1-[2-(2,6-dimethylphenoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111479484
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 111479543
5-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 111482154
1-[2-(cyclopropylmethoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111480872
3-(furan-2-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide
CID 111481891
1-[(2S)-3,3-dimethylbutan-2-yl]-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea
CID 95934768
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea?
The IUPAC name of 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea (CID 111479609) is 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea.
What is the SMILES notation for 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea?
The canonical SMILES for 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea is CN(C)c1ccc(CCCNC(=O)NCC(C)(O)c2ccco2)cc1.
What is the InChIKey of 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea?
The InChIKey is FFDXYAVVZCTQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-19(24,17-7-5-13-25-17)14-21-18(23)20-12-4-6-15-8-10-16(11-9-15)22(2)3/h5,7-11,13,24H,4,6,12,14H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea?
1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea has a molecular weight of 345.44 g/mol, XLogP of 2.49, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea is sourced from PubChem (CID 111479609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).