1-[2-(3-methoxypropoxy)phenyl]-3-[(1S)-1-pyridin-2-ylethyl]urea

C18H23N3O3 — CID 94550940

IUPAC1-[2-(3-methoxypropoxy)phenyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
SMILESCOCCCOc1ccccc1NC(=O)N[C@@H](C)c1ccccn1
InChIInChI=1S/C18H23N3O3/c1-14(15-8-5-6-11-19-15)20-18(22)21-16-9-3-4-10-17(16)24-13-7-12-23-2/h3-6,8-11,14H,7,12-13H2,1-2H3,(H2,20,21,22)/t14-/m0/s1
InChIKeyCQSFXISSFAAOIT-AWEZNQCLSA-N
MW329.40 g/mol
LogP3.38
Rot. Bonds8

About 1-[2-(3-methoxypropoxy)phenyl]-3-[(1S)-1-pyridin-2-ylethyl]urea

1-[2-(3-methoxypropoxy)phenyl]-3-[(1S)-1-pyridin-2-ylethyl]urea (PubChem CID 94550940) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[2-(3-methoxypropoxy)phenyl]-3-[(1S)-1-pyridin-2-ylethyl]urea.

Molecular Properties

Compound Name1-[2-(3-methoxypropoxy)phenyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
PubChem CID94550940
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[2-(3-methoxypropoxy)phenyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
SMILESCOCCCOc1ccccc1NC(=O)N[C@@H](C)c1ccccn1
InChIInChI=1S/C18H23N3O3/c1-14(15-8-5-6-11-19-15)20-18(22)21-16-9-3-4-10-17(16)24-13-7-12-23-2/h3-6,8-11,14H,7,12-13H2,1-2H3,(H2,20,21,22)/t14-/m0/s1
InChIKeyCQSFXISSFAAOIT-AWEZNQCLSA-N
XLogP3.38
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxypropoxy)phenyl]urea
CID 60569568
2-amino-5-methoxy-N-(1-pyridin-2-ylethyl)pentanamide
CID 81081653
(2S)-2-amino-N-[2-(3-methoxypropoxy)phenyl]propanamide;hydrochloride
CID 119302241
4-methoxy-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 62480587
1-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 94054970
1-(5-chloro-2-methoxyphenyl)-3-(1-pyridin-2-ylethyl)urea
CID 17182579
2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407538
1-(2-ethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
CID 94812234
4-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
CID 104647537
1-(2,4-dibromophenyl)-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 51944656
N-[2-(3-methoxypropoxy)ethyl]-1-pyridin-2-ylethanamine
CID 103178569
1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea
CID 75415056

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypropoxy)phenyl]-3-[(1S)-1-pyridin-2-ylethyl]urea?
The IUPAC name of 1-[2-(3-methoxypropoxy)phenyl]-3-[(1S)-1-pyridin-2-ylethyl]urea (CID 94550940) is 1-[2-(3-methoxypropoxy)phenyl]-3-[(1S)-1-pyridin-2-ylethyl]urea.
What is the SMILES notation for 1-[2-(3-methoxypropoxy)phenyl]-3-[(1S)-1-pyridin-2-ylethyl]urea?
The canonical SMILES for 1-[2-(3-methoxypropoxy)phenyl]-3-[(1S)-1-pyridin-2-ylethyl]urea is COCCCOc1ccccc1NC(=O)N[C@@H](C)c1ccccn1.
What is the InChIKey of 1-[2-(3-methoxypropoxy)phenyl]-3-[(1S)-1-pyridin-2-ylethyl]urea?
The InChIKey is CQSFXISSFAAOIT-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-14(15-8-5-6-11-19-15)20-18(22)21-16-9-3-4-10-17(16)24-13-7-12-23-2/h3-6,8-11,14H,7,12-13H2,1-2H3,(H2,20,21,22)/t14-/m0/s1.
What are the key properties of 1-[2-(3-methoxypropoxy)phenyl]-3-[(1S)-1-pyridin-2-ylethyl]urea?
1-[2-(3-methoxypropoxy)phenyl]-3-[(1S)-1-pyridin-2-ylethyl]urea has a molecular weight of 329.40 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypropoxy)phenyl]-3-[(1S)-1-pyridin-2-ylethyl]urea is sourced from PubChem (CID 94550940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).