1-(4-ethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea

C16H19N3O2 — CID 40637158

IUPAC1-(4-ethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea
SMILESCCOc1ccc(NC(=O)N[C@@H](C)c2ccncc2)cc1
InChIInChI=1S/C16H19N3O2/c1-3-21-15-6-4-14(5-7-15)19-16(20)18-12(2)13-8-10-17-11-9-13/h4-12H,3H2,1-2H3,(H2,18,19,20)/t12-/m0/s1
InChIKeyZVWNHZNFUHNITN-LBPRGKRZSA-N
MW285.35 g/mol
LogP3.36
Rot. Bonds5

About 1-(4-ethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea

1-(4-ethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea (PubChem CID 40637158) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea
PubChem CID40637158
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-(4-ethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea
SMILESCCOc1ccc(NC(=O)N[C@@H](C)c2ccncc2)cc1
InChIInChI=1S/C16H19N3O2/c1-3-21-15-6-4-14(5-7-15)19-16(20)18-12(2)13-8-10-17-11-9-13/h4-12H,3H2,1-2H3,(H2,18,19,20)/t12-/m0/s1
InChIKeyZVWNHZNFUHNITN-LBPRGKRZSA-N
XLogP3.36
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenoxy)-N-(1-pyridin-4-ylethyl)acetamide
CID 18160473
1-(4-ethoxyphenyl)-3-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]urea
CID 60586866
1-(4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea
CID 45147289
1-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]ethyl]-3-pyridin-3-ylurea
CID 56924989
1-naphthalen-2-yl-3-(1-pyridin-4-ylethyl)urea
CID 45147279
1-[1-(4-ethoxyphenyl)ethyl]-3-(3-nitrophenyl)urea
CID 2957728
1-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-(3-nitrophenyl)urea
CID 971988
1-(1H-pyrazol-4-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 95130503
1-(1-cyclopropylethyl)-3-(4-ethoxyphenyl)urea
CID 47133290
1-[1-(4-ethoxyphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 110892427
(2S)-2-[(4-ethoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 944908
1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea
CID 40635808

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea (CID 40637158) is 1-(4-ethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea is CCOc1ccc(NC(=O)N[C@@H](C)c2ccncc2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea?
The InChIKey is ZVWNHZNFUHNITN-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-21-15-6-4-14(5-7-15)19-16(20)18-12(2)13-8-10-17-11-9-13/h4-12H,3H2,1-2H3,(H2,18,19,20)/t12-/m0/s1.
What are the key properties of 1-(4-ethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea?
1-(4-ethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea has a molecular weight of 285.35 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea is sourced from PubChem (CID 40637158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).