1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[[2-(2-methylpropoxy)phenyl]methyl]urea

C20H33N3O2 — CID 86887365

IUPAC1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[[2-(2-methylpropoxy)phenyl]methyl]urea
SMILESCC(C)COc1ccccc1CNC(=O)NCCN(C(C)C)C1CC1
InChIInChI=1S/C20H33N3O2/c1-15(2)14-25-19-8-6-5-7-17(19)13-22-20(24)21-11-12-23(16(3)4)18-9-10-18/h5-8,15-16,18H,9-14H2,1-4H3,(H2,21,22,24)
InChIKeyUJDQVRBYKNFWLH-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.39
Rot. Bonds10

About 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[[2-(2-methylpropoxy)phenyl]methyl]urea

1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[[2-(2-methylpropoxy)phenyl]methyl]urea (PubChem CID 86887365) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[[2-(2-methylpropoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[[2-(2-methylpropoxy)phenyl]methyl]urea
PubChem CID86887365
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[[2-(2-methylpropoxy)phenyl]methyl]urea
SMILESCC(C)COc1ccccc1CNC(=O)NCCN(C(C)C)C1CC1
InChIInChI=1S/C20H33N3O2/c1-15(2)14-25-19-8-6-5-7-17(19)13-22-20(24)21-11-12-23(16(3)4)18-9-10-18/h5-8,15-16,18H,9-14H2,1-4H3,(H2,21,22,24)
InChIKeyUJDQVRBYKNFWLH-UHFFFAOYSA-N
XLogP3.39
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[[2-(2-methylpropoxy)phenyl]methyl]urea with MolForge

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Related Compounds

1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[(2-ethoxyphenyl)methyl]-2-methylguanidine
CID 111881739
1,1-diethyl-3-[[2-(2-methylpropoxy)phenyl]methyl]urea
CID 60562621
1-[(3,4-dimethoxyphenyl)methyl]-3-[[2-(2-methylpropoxy)phenyl]methyl]urea
CID 60554654
1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea
CID 111337271
N-[[2-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119739883
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111217242
methyl 1-[N'-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111253806
3-amino-N-[[2-(2-methylpropoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119739863
5-amino-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride
CID 120624405
1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea
CID 47375969
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110924420
4-(methoxymethyl)-N-[[2-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide
CID 120624410

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[[2-(2-methylpropoxy)phenyl]methyl]urea?
The IUPAC name of 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[[2-(2-methylpropoxy)phenyl]methyl]urea (CID 86887365) is 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[[2-(2-methylpropoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[[2-(2-methylpropoxy)phenyl]methyl]urea?
The canonical SMILES for 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[[2-(2-methylpropoxy)phenyl]methyl]urea is CC(C)COc1ccccc1CNC(=O)NCCN(C(C)C)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[[2-(2-methylpropoxy)phenyl]methyl]urea?
The InChIKey is UJDQVRBYKNFWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-15(2)14-25-19-8-6-5-7-17(19)13-22-20(24)21-11-12-23(16(3)4)18-9-10-18/h5-8,15-16,18H,9-14H2,1-4H3,(H2,21,22,24).
What are the key properties of 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[[2-(2-methylpropoxy)phenyl]methyl]urea?
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[[2-(2-methylpropoxy)phenyl]methyl]urea has a molecular weight of 347.50 g/mol, XLogP of 3.39, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[[2-(2-methylpropoxy)phenyl]methyl]urea is sourced from PubChem (CID 86887365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).