1-[[4-(aminomethyl)phenyl]methyl]-3-[(3-phenoxyphenyl)methyl]urea

C22H23N3O2 — CID 68878464

IUPAC1-[[4-(aminomethyl)phenyl]methyl]-3-[(3-phenoxyphenyl)methyl]urea
SMILESNCc1ccc(CNC(=O)NCc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C22H23N3O2/c23-14-17-9-11-18(12-10-17)15-24-22(26)25-16-19-5-4-8-21(13-19)27-20-6-2-1-3-7-20/h1-13H,14-16,23H2,(H2,24,25,26)
InChIKeyFDVQKZFWOQVTKO-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.94
Rot. Bonds7

About 1-[[4-(aminomethyl)phenyl]methyl]-3-[(3-phenoxyphenyl)methyl]urea

1-[[4-(aminomethyl)phenyl]methyl]-3-[(3-phenoxyphenyl)methyl]urea (PubChem CID 68878464) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)phenyl]methyl]-3-[(3-phenoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[[4-(aminomethyl)phenyl]methyl]-3-[(3-phenoxyphenyl)methyl]urea
PubChem CID68878464
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name1-[[4-(aminomethyl)phenyl]methyl]-3-[(3-phenoxyphenyl)methyl]urea
SMILESNCc1ccc(CNC(=O)NCc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C22H23N3O2/c23-14-17-9-11-18(12-10-17)15-24-22(26)25-16-19-5-4-8-21(13-19)27-20-6-2-1-3-7-20/h1-13H,14-16,23H2,(H2,24,25,26)
InChIKeyFDVQKZFWOQVTKO-UHFFFAOYSA-N
XLogP3.94
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(aminomethyl)phenyl]methyl]-3-[(4-bromophenyl)methyl]urea
CID 108899439
N-benzyl-4-oxo-5-(3-phenoxyphenyl)pentanamide
CID 58543320
1-[2-(1H-indol-2-yl)ethyl]-3-[(3-phenoxyphenyl)methyl]urea
CID 167843223
1-phenylmethoxy-3-[[4-[7-[4-[(phenylmethoxycarbamoylamino)methyl]phenoxy]naphthalen-2-yl]oxyphenyl]methyl]urea
CID 19038432
N-[(3-phenoxyphenyl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 118762065
1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 117235446
3-[[(3-phenoxybenzoyl)amino]methyl]benzamide
CID 32636499
(1S,6R)-6-amino-N-[(3-phenoxyphenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 167936736
2-(hydroxymethyl)-N-[(3-phenoxyphenyl)methyl]pyridine-4-carboxamide
CID 166384916
N-ethyl-2-[(3-phenoxyphenyl)methylamino]acetamide
CID 43398912
4-acetamido-N-[(3-phenoxyphenyl)methyl]benzamide
CID 39022053
(1S,2R,4S,5R)-6-[(3-phenoxyphenyl)methylamino]cyclohexane-1,2,3,4,5-pentol
CID 102478590

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)phenyl]methyl]-3-[(3-phenoxyphenyl)methyl]urea?
The IUPAC name of 1-[[4-(aminomethyl)phenyl]methyl]-3-[(3-phenoxyphenyl)methyl]urea (CID 68878464) is 1-[[4-(aminomethyl)phenyl]methyl]-3-[(3-phenoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[[4-(aminomethyl)phenyl]methyl]-3-[(3-phenoxyphenyl)methyl]urea?
The canonical SMILES for 1-[[4-(aminomethyl)phenyl]methyl]-3-[(3-phenoxyphenyl)methyl]urea is NCc1ccc(CNC(=O)NCc2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of 1-[[4-(aminomethyl)phenyl]methyl]-3-[(3-phenoxyphenyl)methyl]urea?
The InChIKey is FDVQKZFWOQVTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c23-14-17-9-11-18(12-10-17)15-24-22(26)25-16-19-5-4-8-21(13-19)27-20-6-2-1-3-7-20/h1-13H,14-16,23H2,(H2,24,25,26).
What are the key properties of 1-[[4-(aminomethyl)phenyl]methyl]-3-[(3-phenoxyphenyl)methyl]urea?
1-[[4-(aminomethyl)phenyl]methyl]-3-[(3-phenoxyphenyl)methyl]urea has a molecular weight of 361.45 g/mol, XLogP of 3.94, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(aminomethyl)phenyl]methyl]-3-[(3-phenoxyphenyl)methyl]urea is sourced from PubChem (CID 68878464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).