[4-[[[(1S)-1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]phenyl]urea

C20H25N3O — CID 171359206

IUPAC[4-[[[(1S)-1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]phenyl]urea
SMILESCc1ccccc1C[C@H](NCc1ccc(NC(N)=O)cc1)C1CC1
InChIInChI=1S/C20H25N3O/c1-14-4-2-3-5-17(14)12-19(16-8-9-16)22-13-15-6-10-18(11-7-15)23-20(21)24/h2-7,10-11,16,19,22H,8-9,12-13H2,1H3,(H3,21,23,24)/t19-/m0/s1
InChIKeyUAPWJBUWUUGXNU-IBGZPJMESA-N
MW323.44 g/mol
LogP3.60
Rot. Bonds7

About [4-[[[(1S)-1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]phenyl]urea

[4-[[[(1S)-1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]phenyl]urea (PubChem CID 171359206) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is [4-[[[(1S)-1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]phenyl]urea.

Molecular Properties

Compound Name[4-[[[(1S)-1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]phenyl]urea
PubChem CID171359206
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name[4-[[[(1S)-1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]phenyl]urea
SMILESCc1ccccc1C[C@H](NCc1ccc(NC(N)=O)cc1)C1CC1
InChIInChI=1S/C20H25N3O/c1-14-4-2-3-5-17(14)12-19(16-8-9-16)22-13-15-6-10-18(11-7-15)23-20(21)24/h2-7,10-11,16,19,22H,8-9,12-13H2,1H3,(H3,21,23,24)/t19-/m0/s1
InChIKeyUAPWJBUWUUGXNU-IBGZPJMESA-N
XLogP3.60
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [4-[[[(1S)-1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]phenyl]urea with MolForge

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Related Compounds

2-[[[1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]-3-(2-methylphenyl)propan-1-ol
CID 166350753
2-methyl-3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid
CID 120540582
[4-[(2-aminophenyl)methyl]phenyl]urea
CID 139902177
N-ethyl-2-(2-methylphenyl)-1-(4-propylcyclohexyl)ethanamine
CID 65425325
methyl N-[4-[(dicyclopropylmethylamino)methyl]phenyl]carbamate
CID 75427648
methyl 3-(benzylamino)-3-cyclopropylpropanoate
CID 134161981
2-(benzylamino)-N-phenylpropanamide
CID 4877973
(2S)-2-(benzylamino)-N-phenylpropanamide
CID 2443956
2-cyclopropyl-2-[2-(2-methylphenyl)ethylamino]acetic acid
CID 103256389
N-(2-amino-2-cyclopropylethyl)-2-(2-methylphenyl)acetamide
CID 63765173
3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid
CID 75482470
N-cyclopentyl-2-[(2-methylphenyl)methylamino]propanamide
CID 60647813

Frequently Asked Questions

What is the IUPAC name of [4-[[[(1S)-1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]phenyl]urea?
The IUPAC name of [4-[[[(1S)-1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]phenyl]urea (CID 171359206) is [4-[[[(1S)-1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]phenyl]urea.
What is the SMILES notation for [4-[[[(1S)-1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]phenyl]urea?
The canonical SMILES for [4-[[[(1S)-1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]phenyl]urea is Cc1ccccc1C[C@H](NCc1ccc(NC(N)=O)cc1)C1CC1.
What is the InChIKey of [4-[[[(1S)-1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]phenyl]urea?
The InChIKey is UAPWJBUWUUGXNU-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25N3O/c1-14-4-2-3-5-17(14)12-19(16-8-9-16)22-13-15-6-10-18(11-7-15)23-20(21)24/h2-7,10-11,16,19,22H,8-9,12-13H2,1H3,(H3,21,23,24)/t19-/m0/s1.
What are the key properties of [4-[[[(1S)-1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]phenyl]urea?
[4-[[[(1S)-1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]phenyl]urea has a molecular weight of 323.44 g/mol, XLogP of 3.60, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[(1S)-1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]phenyl]urea is sourced from PubChem (CID 171359206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).