1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea

C17H21N3O — CID 33431867

IUPAC1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
SMILESCc1ccccc1[C@H](C)NC(=O)N[C@@H](C)c1ccccn1
InChIInChI=1S/C17H21N3O/c1-12-8-4-5-9-15(12)13(2)19-17(21)20-14(3)16-10-6-7-11-18-16/h4-11,13-14H,1-3H3,(H2,19,20,21)/t13-,14-/m0/s1
InChIKeyCBXPDWNHIGNCKV-KBPBESRZSA-N
MW283.38 g/mol
LogP3.51
Rot. Bonds4

About 1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea

1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea (PubChem CID 33431867) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
PubChem CID33431867
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
SMILESCc1ccccc1[C@H](C)NC(=O)N[C@@H](C)c1ccccn1
InChIInChI=1S/C17H21N3O/c1-12-8-4-5-9-15(12)13(2)19-17(21)20-14(3)16-10-6-7-11-18-16/h4-11,13-14H,1-3H3,(H2,19,20,21)/t13-,14-/m0/s1
InChIKeyCBXPDWNHIGNCKV-KBPBESRZSA-N
XLogP3.51
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 94054970
1-(2-methylphenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43203224
1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 97312027
1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea
CID 75415056
3-methyl-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 61197140
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 33431970
1-[(1S)-1-cyclopropylethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 36970118
1-[(1S)-1-cyclopropylethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 36970112
2-(2-methylphenyl)-2-pyridin-2-ylacetic acid
CID 82040348
2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 61198086
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
(2S)-2-hydroxy-3-(1-pyridin-2-ylethylcarbamoylamino)propanoic acid
CID 107838423

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea?
The IUPAC name of 1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea (CID 33431867) is 1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea.
What is the SMILES notation for 1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea?
The canonical SMILES for 1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea is Cc1ccccc1[C@H](C)NC(=O)N[C@@H](C)c1ccccn1.
What is the InChIKey of 1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea?
The InChIKey is CBXPDWNHIGNCKV-KBPBESRZSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-8-4-5-9-15(12)13(2)19-17(21)20-14(3)16-10-6-7-11-18-16/h4-11,13-14H,1-3H3,(H2,19,20,21)/t13-,14-/m0/s1.
What are the key properties of 1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea?
1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea has a molecular weight of 283.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea is sourced from PubChem (CID 33431867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).