1-[5-(diethylamino)pentan-2-yl]-3-(2-methoxyphenyl)-1-[(4-phenylmethoxyphenyl)methyl]urea

C31H41N3O3 — CID 42700707

IUPAC1-[5-(diethylamino)pentan-2-yl]-3-(2-methoxyphenyl)-1-[(4-phenylmethoxyphenyl)methyl]urea
SMILESCCN(CC)CCCC(C)N(Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccccc1OC
InChIInChI=1S/C31H41N3O3/c1-5-33(6-2)22-12-13-25(3)34(31(35)32-29-16-10-11-17-30(29)36-4)23-26-18-20-28(21-19-26)37-24-27-14-8-7-9-15-27/h7-11,14-21,25H,5-6,12-13,22-24H2,1-4H3,(H,32,35)
InChIKeyAUALINVAIRHGNR-UHFFFAOYSA-N
MW503.69 g/mol
LogP6.82
Rot. Bonds14

About 1-[5-(diethylamino)pentan-2-yl]-3-(2-methoxyphenyl)-1-[(4-phenylmethoxyphenyl)methyl]urea

1-[5-(diethylamino)pentan-2-yl]-3-(2-methoxyphenyl)-1-[(4-phenylmethoxyphenyl)methyl]urea (PubChem CID 42700707) has the molecular formula C31H41N3O3 and a molecular weight of 503.69 g/mol. Its IUPAC name is 1-[5-(diethylamino)pentan-2-yl]-3-(2-methoxyphenyl)-1-[(4-phenylmethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[5-(diethylamino)pentan-2-yl]-3-(2-methoxyphenyl)-1-[(4-phenylmethoxyphenyl)methyl]urea
PubChem CID42700707
Molecular FormulaC31H41N3O3
Molecular Weight503.69 g/mol
Exact Mass503.31
IUPAC Name1-[5-(diethylamino)pentan-2-yl]-3-(2-methoxyphenyl)-1-[(4-phenylmethoxyphenyl)methyl]urea
SMILESCCN(CC)CCCC(C)N(Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccccc1OC
InChIInChI=1S/C31H41N3O3/c1-5-33(6-2)22-12-13-25(3)34(31(35)32-29-16-10-11-17-30(29)36-4)23-26-18-20-28(21-19-26)37-24-27-14-8-7-9-15-27/h7-11,14-21,25H,5-6,12-13,22-24H2,1-4H3,(H,32,35)
InChIKeyAUALINVAIRHGNR-UHFFFAOYSA-N
XLogP6.82
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.69
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-(diethylamino)pentan-2-yl]-3-(2-methoxyphenyl)-1-[(4-phenylmethoxyphenyl)methyl]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

3-butyl-1-[5-(diethylamino)pentan-2-yl]-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 42708399
N-[5-(diethylamino)pentan-2-yl]-N-[(4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide
CID 42700694
[4-[[[(2S)-butan-2-yl]-[(2-methoxyphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate
CID 7411611
(2R)-N-(2-methoxyphenyl)-2-(4-phenylmethoxyanilino)propanamide
CID 7830477
1-benzyl-3-(3,4-dichlorophenyl)-1-[5-(diethylamino)pentan-2-yl]urea
CID 42695686
ethyl 4-[[5-(diethylamino)pentan-2-yl-[(4-ethoxyphenyl)methyl]carbamoyl]amino]benzoate
CID 42696660
3-bromo-N-[5-(diethylamino)pentan-2-yl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 42704380
1-benzyl-3-(3-chlorophenyl)-1-[5-(diethylamino)pentan-2-yl]urea
CID 42695687
1-benzyl-3-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]urea
CID 47053425
1-N,1-N-diethyl-4-N-[(4-phenylmethoxyphenyl)methyl]pentane-1,4-diamine
CID 3653274
1-butan-2-yl-3-(2-fluorophenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 42708380
N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-phenylmethoxybenzamide
CID 27741024

Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-3-(2-methoxyphenyl)-1-[(4-phenylmethoxyphenyl)methyl]urea?
The IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-3-(2-methoxyphenyl)-1-[(4-phenylmethoxyphenyl)methyl]urea (CID 42700707) is 1-[5-(diethylamino)pentan-2-yl]-3-(2-methoxyphenyl)-1-[(4-phenylmethoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[5-(diethylamino)pentan-2-yl]-3-(2-methoxyphenyl)-1-[(4-phenylmethoxyphenyl)methyl]urea?
The canonical SMILES for 1-[5-(diethylamino)pentan-2-yl]-3-(2-methoxyphenyl)-1-[(4-phenylmethoxyphenyl)methyl]urea is CCN(CC)CCCC(C)N(Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccccc1OC.
What is the InChIKey of 1-[5-(diethylamino)pentan-2-yl]-3-(2-methoxyphenyl)-1-[(4-phenylmethoxyphenyl)methyl]urea?
The InChIKey is AUALINVAIRHGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N3O3/c1-5-33(6-2)22-12-13-25(3)34(31(35)32-29-16-10-11-17-30(29)36-4)23-26-18-20-28(21-19-26)37-24-27-14-8-7-9-15-27/h7-11,14-21,25H,5-6,12-13,22-24H2,1-4H3,(H,32,35).
What are the key properties of 1-[5-(diethylamino)pentan-2-yl]-3-(2-methoxyphenyl)-1-[(4-phenylmethoxyphenyl)methyl]urea?
1-[5-(diethylamino)pentan-2-yl]-3-(2-methoxyphenyl)-1-[(4-phenylmethoxyphenyl)methyl]urea has a molecular weight of 503.69 g/mol, XLogP of 6.82, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylamino)pentan-2-yl]-3-(2-methoxyphenyl)-1-[(4-phenylmethoxyphenyl)methyl]urea is sourced from PubChem (CID 42700707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).