1-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-(2-methoxy-5-methylphenyl)urea

C20H27N3O2 — CID 100612459

IUPAC1-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C
InChIInChI=1S/C20H27N3O2/c1-14-11-12-18(25-5)17(13-14)22-20(24)21-15(2)19(23(3)4)16-9-7-6-8-10-16/h6-13,15,19H,1-5H3,(H2,21,22,24)/t15-,19+/m0/s1
InChIKeyPZPWCQDNRRDEFT-HNAYVOBHSA-N
MW341.46 g/mol
LogP3.82
Rot. Bonds6

About 1-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-(2-methoxy-5-methylphenyl)urea

1-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-(2-methoxy-5-methylphenyl)urea (PubChem CID 100612459) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-(2-methoxy-5-methylphenyl)urea.

Molecular Properties

Compound Name1-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-(2-methoxy-5-methylphenyl)urea
PubChem CID100612459
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name1-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C
InChIInChI=1S/C20H27N3O2/c1-14-11-12-18(25-5)17(13-14)22-20(24)21-15(2)19(23(3)4)16-9-7-6-8-10-16/h6-13,15,19H,1-5H3,(H2,21,22,24)/t15-,19+/m0/s1
InChIKeyPZPWCQDNRRDEFT-HNAYVOBHSA-N
XLogP3.82
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-(2-methoxy-5-methylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174
1-(3,3-dimethylbutan-2-yl)-3-(2-methoxy-5-methylphenyl)urea
CID 3855926
(2S)-N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]-2-phenylacetamide
CID 8516586
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 4-(dimethylamino)benzoate
CID 7667717
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 43063477
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methoxyacetate
CID 8015324
1-(2,5-dimethoxyphenyl)-3-[(1S)-1-phenylethyl]urea
CID 40636303
1-(2,5-dimethoxyphenyl)-3-[(1R)-1-phenylethyl]urea
CID 40636304
phenyl N-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]carbamate
CID 126009593
[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] (E)-but-2-enoate
CID 2507805
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methylbenzoate
CID 4853970
(2S)-N-(2-methoxy-5-methylphenyl)-2-phenylsulfanylpropanamide
CID 26733753

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-(2-methoxy-5-methylphenyl)urea?
The IUPAC name of 1-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-(2-methoxy-5-methylphenyl)urea (CID 100612459) is 1-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-(2-methoxy-5-methylphenyl)urea.
What is the SMILES notation for 1-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-(2-methoxy-5-methylphenyl)urea?
The canonical SMILES for 1-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-(2-methoxy-5-methylphenyl)urea is COc1ccc(C)cc1NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C.
What is the InChIKey of 1-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-(2-methoxy-5-methylphenyl)urea?
The InChIKey is PZPWCQDNRRDEFT-HNAYVOBHSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14-11-12-18(25-5)17(13-14)22-20(24)21-15(2)19(23(3)4)16-9-7-6-8-10-16/h6-13,15,19H,1-5H3,(H2,21,22,24)/t15-,19+/m0/s1.
What are the key properties of 1-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-(2-methoxy-5-methylphenyl)urea?
1-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-(2-methoxy-5-methylphenyl)urea has a molecular weight of 341.46 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-(2-methoxy-5-methylphenyl)urea is sourced from PubChem (CID 100612459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).