1-propan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea

C15H25N3O — CID 43508325

IUPAC1-propan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea
SMILESCCCNC(C)c1ccc(NC(=O)NC(C)C)cc1
InChIInChI=1S/C15H25N3O/c1-5-10-16-12(4)13-6-8-14(9-7-13)18-15(19)17-11(2)3/h6-9,11-12,16H,5,10H2,1-4H3,(H2,17,18,19)
InChIKeyYAVIFPUXONWEED-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.28
Rot. Bonds6

About 1-propan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea

1-propan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea (PubChem CID 43508325) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-propan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name1-propan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea
PubChem CID43508325
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-propan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea
SMILESCCCNC(C)c1ccc(NC(=O)NC(C)C)cc1
InChIInChI=1S/C15H25N3O/c1-5-10-16-12(4)13-6-8-14(9-7-13)18-15(19)17-11(2)3/h6-9,11-12,16H,5,10H2,1-4H3,(H2,17,18,19)
InChIKeyYAVIFPUXONWEED-UHFFFAOYSA-N
XLogP3.28
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-propan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]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-butan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea
CID 61341260
1-tert-butyl-3-[4-[1-(propylamino)ethyl]phenyl]urea
CID 43508324
ethyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate
CID 43508328
1-(1,2-oxazol-3-yl)-3-[4-[1-(propylamino)ethyl]phenyl]urea
CID 62902901
2,2-dimethyl-N-[4-[1-(propylamino)ethyl]phenyl]butanamide
CID 62678760
2-methylpropyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate
CID 43508327
1-[4-(dipropylamino)phenyl]-3-propan-2-ylurea
CID 112985654
2-methyl-N-[4-[1-(propylamino)ethyl]phenyl]cyclopropane-1-carboxamide
CID 43507733
3-propoxy-N-[4-[1-(propylamino)ethyl]phenyl]propanamide
CID 62715274
1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea
CID 43208686
N-[4-[1-(propylamino)ethyl]phenyl]pyridine-2-carboxamide
CID 43507728
1-propan-2-yl-3-[6-(propylamino)-3-pyridinyl]urea
CID 113009101

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea?
The IUPAC name of 1-propan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea (CID 43508325) is 1-propan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea.
What is the SMILES notation for 1-propan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea?
The canonical SMILES for 1-propan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea is CCCNC(C)c1ccc(NC(=O)NC(C)C)cc1.
What is the InChIKey of 1-propan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea?
The InChIKey is YAVIFPUXONWEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-10-16-12(4)13-6-8-14(9-7-13)18-15(19)17-11(2)3/h6-9,11-12,16H,5,10H2,1-4H3,(H2,17,18,19).
What are the key properties of 1-propan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea?
1-propan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea has a molecular weight of 263.38 g/mol, XLogP of 3.28, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea is sourced from PubChem (CID 43508325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).