1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea

C16H25N3O2 — CID 110924420

IUPAC1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
SMILESCCN(CCNC(=O)NCc1ccccc1CO)C1CC1
InChIInChI=1S/C16H25N3O2/c1-2-19(15-7-8-15)10-9-17-16(21)18-11-13-5-3-4-6-14(13)12-20/h3-6,15,20H,2,7-12H2,1H3,(H2,17,18,21)
InChIKeyHUTNKKLNGJITFZ-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.46
Rot. Bonds8

About 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea

1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea (PubChem CID 110924420) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
PubChem CID110924420
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
SMILESCCN(CCNC(=O)NCc1ccccc1CO)C1CC1
InChIInChI=1S/C16H25N3O2/c1-2-19(15-7-8-15)10-9-17-16(21)18-11-13-5-3-4-6-14(13)12-20/h3-6,15,20H,2,7-12H2,1H3,(H2,17,18,21)
InChIKeyHUTNKKLNGJITFZ-UHFFFAOYSA-N
XLogP1.46
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[di(propan-2-yl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110911654
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 51107745
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111751057
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea
CID 111111222
1-[(1-ethylcyclopropyl)methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111840872
N-[2-[cyclopropyl(ethyl)amino]ethyl]-2,3-difluorobenzamide
CID 103638605
1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111374836
1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-[(2-ethoxyphenyl)methyl]-3-ethylguanidine;hydroiodide
CID 111881642
N'-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103637912
3-[2-[cyclopropyl(ethyl)amino]ethyl]-1,2-dimethyl-1-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111287484
(2S)-2-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]propanamide
CID 103814330
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 110924335

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea (CID 110924420) is 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea is CCN(CCNC(=O)NCc1ccccc1CO)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
The InChIKey is HUTNKKLNGJITFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-19(15-7-8-15)10-9-17-16(21)18-11-13-5-3-4-6-14(13)12-20/h3-6,15,20H,2,7-12H2,1H3,(H2,17,18,21).
What are the key properties of 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea has a molecular weight of 291.39 g/mol, XLogP of 1.46, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 110924420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).