1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-1-methyl-3-(3-morpholin-4-ylpropyl)urea

C19H31N3O4 — CID 126452003

IUPAC1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-1-methyl-3-(3-morpholin-4-ylpropyl)urea
SMILESCOc1ccc([C@H](C)N(C)C(=O)NCCCN2CCOCC2)c(OC)c1
InChIInChI=1S/C19H31N3O4/c1-15(17-7-6-16(24-3)14-18(17)25-4)21(2)19(23)20-8-5-9-22-10-12-26-13-11-22/h6-7,14-15H,5,8-13H2,1-4H3,(H,20,23)/t15-/m0/s1
InChIKeyWBWPFGFNOWKJRW-HNNXBMFYSA-N
MW365.47 g/mol
LogP2.13
Rot. Bonds8

About 1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-1-methyl-3-(3-morpholin-4-ylpropyl)urea

1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-1-methyl-3-(3-morpholin-4-ylpropyl)urea (PubChem CID 126452003) has the molecular formula C19H31N3O4 and a molecular weight of 365.47 g/mol. Its IUPAC name is 1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-1-methyl-3-(3-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-1-methyl-3-(3-morpholin-4-ylpropyl)urea
PubChem CID126452003
Molecular FormulaC19H31N3O4
Molecular Weight365.47 g/mol
Exact Mass365.23
IUPAC Name1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-1-methyl-3-(3-morpholin-4-ylpropyl)urea
SMILESCOc1ccc([C@H](C)N(C)C(=O)NCCCN2CCOCC2)c(OC)c1
InChIInChI=1S/C19H31N3O4/c1-15(17-7-6-16(24-3)14-18(17)25-4)21(2)19(23)20-8-5-9-22-10-12-26-13-11-22/h6-7,14-15H,5,8-13H2,1-4H3,(H,20,23)/t15-/m0/s1
InChIKeyWBWPFGFNOWKJRW-HNNXBMFYSA-N
XLogP2.13
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(6-methoxynaphthalen-2-yl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 95247391
3-(2,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 78781003
1-[(2,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 3912331
N'-[1-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 108510277
2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 80503310
N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
CID 126261566
2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51072890
3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 17462757
(E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 71495779
3-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 64526958
2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 30150418
1-ethyl-2-[2-(3-methoxyphenoxy)propyl]-3-(3-morpholin-4-ylpropyl)guanidine
CID 111494306

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-1-methyl-3-(3-morpholin-4-ylpropyl)urea?
The IUPAC name of 1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-1-methyl-3-(3-morpholin-4-ylpropyl)urea (CID 126452003) is 1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-1-methyl-3-(3-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-1-methyl-3-(3-morpholin-4-ylpropyl)urea?
The canonical SMILES for 1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-1-methyl-3-(3-morpholin-4-ylpropyl)urea is COc1ccc([C@H](C)N(C)C(=O)NCCCN2CCOCC2)c(OC)c1.
What is the InChIKey of 1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-1-methyl-3-(3-morpholin-4-ylpropyl)urea?
The InChIKey is WBWPFGFNOWKJRW-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H31N3O4/c1-15(17-7-6-16(24-3)14-18(17)25-4)21(2)19(23)20-8-5-9-22-10-12-26-13-11-22/h6-7,14-15H,5,8-13H2,1-4H3,(H,20,23)/t15-/m0/s1.
What are the key properties of 1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-1-methyl-3-(3-morpholin-4-ylpropyl)urea?
1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-1-methyl-3-(3-morpholin-4-ylpropyl)urea has a molecular weight of 365.47 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-1-methyl-3-(3-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 126452003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).