1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea

C18H24N4O3 — CID 51083709

IUPAC1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea
SMILESCOc1ccc(C(C)NC(=O)NCCNc2ccccn2)c(OC)c1
InChIInChI=1S/C18H24N4O3/c1-13(15-8-7-14(24-2)12-16(15)25-3)22-18(23)21-11-10-20-17-6-4-5-9-19-17/h4-9,12-13H,10-11H2,1-3H3,(H,19,20)(H2,21,22,23)
InChIKeyXKLAXQPOMQKJPH-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.57
Rot. Bonds8

About 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea

1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea (PubChem CID 51083709) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea.

Molecular Properties

Compound Name1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea
PubChem CID51083709
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea
SMILESCOc1ccc(C(C)NC(=O)NCCNc2ccccn2)c(OC)c1
InChIInChI=1S/C18H24N4O3/c1-13(15-8-7-14(24-2)12-16(15)25-3)22-18(23)21-11-10-20-17-6-4-5-9-19-17/h4-9,12-13H,10-11H2,1-3H3,(H,19,20)(H2,21,22,23)
InChIKeyXKLAXQPOMQKJPH-UHFFFAOYSA-N
XLogP2.57
TPSA84.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea
CID 94026735
1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea
CID 96516422
1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94029275
1-butan-2-yl-3-[1-(2,4-dimethoxyphenyl)ethyl]urea
CID 47216355
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-quinolin-8-ylurea
CID 55695740
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 55746439
N-[1-(2,4-dimethoxyphenyl)ethyl]isoquinoline-1-carboxamide
CID 51128012
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 55929778
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-ethoxypyridine-3-carboxamide
CID 134053639
1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 94047872
1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-pyridin-2-ylurea
CID 95129792
7-methoxy-N-[2-(pyridin-2-ylamino)ethyl]cinnoline-3-carboxamide
CID 166386362

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea?
The IUPAC name of 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea (CID 51083709) is 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea.
What is the SMILES notation for 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea?
The canonical SMILES for 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea is COc1ccc(C(C)NC(=O)NCCNc2ccccn2)c(OC)c1.
What is the InChIKey of 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea?
The InChIKey is XKLAXQPOMQKJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13(15-8-7-14(24-2)12-16(15)25-3)22-18(23)21-11-10-20-17-6-4-5-9-19-17/h4-9,12-13H,10-11H2,1-3H3,(H,19,20)(H2,21,22,23).
What are the key properties of 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea?
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea has a molecular weight of 344.42 g/mol, XLogP of 2.57, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea is sourced from PubChem (CID 51083709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).