1-cyclopropyl-3-[4-[1-[[3-(dimethylamino)cyclohexyl]amino]ethyl]phenyl]urea

C20H32N4O — CID 75428567

IUPAC1-cyclopropyl-3-[4-[1-[[3-(dimethylamino)cyclohexyl]amino]ethyl]phenyl]urea
SMILESCC(NC1CCCC(N(C)C)C1)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C20H32N4O/c1-14(21-18-5-4-6-19(13-18)24(2)3)15-7-9-16(10-8-15)22-20(25)23-17-11-12-17/h7-10,14,17-19,21H,4-6,11-13H2,1-3H3,(H2,22,23,25)
InChIKeyDRHOZISCJCUKSI-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.49
Rot. Bonds6

About 1-cyclopropyl-3-[4-[1-[[3-(dimethylamino)cyclohexyl]amino]ethyl]phenyl]urea

1-cyclopropyl-3-[4-[1-[[3-(dimethylamino)cyclohexyl]amino]ethyl]phenyl]urea (PubChem CID 75428567) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-[1-[[3-(dimethylamino)cyclohexyl]amino]ethyl]phenyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[4-[1-[[3-(dimethylamino)cyclohexyl]amino]ethyl]phenyl]urea
PubChem CID75428567
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name1-cyclopropyl-3-[4-[1-[[3-(dimethylamino)cyclohexyl]amino]ethyl]phenyl]urea
SMILESCC(NC1CCCC(N(C)C)C1)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C20H32N4O/c1-14(21-18-5-4-6-19(13-18)24(2)3)15-7-9-16(10-8-15)22-20(25)23-17-11-12-17/h7-10,14,17-19,21H,4-6,11-13H2,1-3H3,(H2,22,23,25)
InChIKeyDRHOZISCJCUKSI-UHFFFAOYSA-N
XLogP3.49
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 62414062
1-[4-(1-aminoethyl)phenyl]-3-cyclobutylurea
CID 62414254
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide
CID 87008083
1-[4-(1-hydroxyethyl)phenyl]-3-(3-methylcyclopentyl)urea
CID 114539712
[4-[1-[(3-methoxycyclohexyl)amino]ethyl]phenyl]urea
CID 103904097
3-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methyl-1-(2-methylprop-2-enyl)urea
CID 75518103
3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]propanamide
CID 119295841
1-[4-[1-(methylamino)ethyl]phenyl]-3-(1-methylpiperidin-4-yl)urea
CID 61340940
4-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pentanamide
CID 120560719
N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methylsulfanylcyclobutane-1-carboxamide
CID 129359325
N-[4-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 94148286
4-(cyclopropylcarbamoylamino)-N,N-dimethylbenzamide
CID 47181034

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-[1-[[3-(dimethylamino)cyclohexyl]amino]ethyl]phenyl]urea?
The IUPAC name of 1-cyclopropyl-3-[4-[1-[[3-(dimethylamino)cyclohexyl]amino]ethyl]phenyl]urea (CID 75428567) is 1-cyclopropyl-3-[4-[1-[[3-(dimethylamino)cyclohexyl]amino]ethyl]phenyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[4-[1-[[3-(dimethylamino)cyclohexyl]amino]ethyl]phenyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[4-[1-[[3-(dimethylamino)cyclohexyl]amino]ethyl]phenyl]urea is CC(NC1CCCC(N(C)C)C1)c1ccc(NC(=O)NC2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-3-[4-[1-[[3-(dimethylamino)cyclohexyl]amino]ethyl]phenyl]urea?
The InChIKey is DRHOZISCJCUKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-14(21-18-5-4-6-19(13-18)24(2)3)15-7-9-16(10-8-15)22-20(25)23-17-11-12-17/h7-10,14,17-19,21H,4-6,11-13H2,1-3H3,(H2,22,23,25).
What are the key properties of 1-cyclopropyl-3-[4-[1-[[3-(dimethylamino)cyclohexyl]amino]ethyl]phenyl]urea?
1-cyclopropyl-3-[4-[1-[[3-(dimethylamino)cyclohexyl]amino]ethyl]phenyl]urea has a molecular weight of 344.50 g/mol, XLogP of 3.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[4-[1-[[3-(dimethylamino)cyclohexyl]amino]ethyl]phenyl]urea is sourced from PubChem (CID 75428567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).