1-(3-hydroxypropyl)-3-(2-morpholin-4-ylethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea

C20H31N3O3 — CID 96536191

IUPAC1-(3-hydroxypropyl)-3-(2-morpholin-4-ylethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
SMILESO=C(NCCN1CCOCC1)N(CCCO)[C@H]1CCCc2ccccc21
InChIInChI=1S/C20H31N3O3/c24-14-4-10-23(19-8-3-6-17-5-1-2-7-18(17)19)20(25)21-9-11-22-12-15-26-16-13-22/h1-2,5,7,19,24H,3-4,6,8-16H2,(H,21,25)/t19-/m0/s1
InChIKeyZZGXKLMNFXVGEO-IBGZPJMESA-N
MW361.49 g/mol
LogP1.79
Rot. Bonds7

About 1-(3-hydroxypropyl)-3-(2-morpholin-4-ylethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea

1-(3-hydroxypropyl)-3-(2-morpholin-4-ylethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea (PubChem CID 96536191) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-(2-morpholin-4-ylethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-(2-morpholin-4-ylethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
PubChem CID96536191
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name1-(3-hydroxypropyl)-3-(2-morpholin-4-ylethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
SMILESO=C(NCCN1CCOCC1)N(CCCO)[C@H]1CCCc2ccccc21
InChIInChI=1S/C20H31N3O3/c24-14-4-10-23(19-8-3-6-17-5-1-2-7-18(17)19)20(25)21-9-11-22-12-15-26-16-13-22/h1-2,5,7,19,24H,3-4,6,8-16H2,(H,21,25)/t19-/m0/s1
InChIKeyZZGXKLMNFXVGEO-IBGZPJMESA-N
XLogP1.79
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxypropyl)-3-(2-morpholin-4-ylethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 71857909
4-[[[3-hydroxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]amino]methyl]benzoic acid
CID 122020246
1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-(2-phenylethyl)urea
CID 111383096
4-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]amino]butanoic acid
CID 122022296
1-(3-hydroxypropyl)-3-[(1-methylimidazol-2-yl)methyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 97075881
1-(2-hydroxyethyl)-3-(6-morpholin-4-yl-3-pyridinyl)-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 95769859
1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-phenylurea
CID 111347470
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(2-methylfuran-3-yl)methyl]urea
CID 97034829
N-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43195481
1-(2-hydroxyethyl)-3-[(5-methylthiophen-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111793736
1-(2-hydroxyethyl)-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111793383
1-(2-hydroxyethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(thiophen-3-ylmethyl)urea
CID 97083678

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-(2-morpholin-4-ylethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The IUPAC name of 1-(3-hydroxypropyl)-3-(2-morpholin-4-ylethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea (CID 96536191) is 1-(3-hydroxypropyl)-3-(2-morpholin-4-ylethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-(2-morpholin-4-ylethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The canonical SMILES for 1-(3-hydroxypropyl)-3-(2-morpholin-4-ylethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea is O=C(NCCN1CCOCC1)N(CCCO)[C@H]1CCCc2ccccc21.
What is the InChIKey of 1-(3-hydroxypropyl)-3-(2-morpholin-4-ylethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The InChIKey is ZZGXKLMNFXVGEO-IBGZPJMESA-N. The full InChI is InChI=1S/C20H31N3O3/c24-14-4-10-23(19-8-3-6-17-5-1-2-7-18(17)19)20(25)21-9-11-22-12-15-26-16-13-22/h1-2,5,7,19,24H,3-4,6,8-16H2,(H,21,25)/t19-/m0/s1.
What are the key properties of 1-(3-hydroxypropyl)-3-(2-morpholin-4-ylethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
1-(3-hydroxypropyl)-3-(2-morpholin-4-ylethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea has a molecular weight of 361.49 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-(2-morpholin-4-ylethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea is sourced from PubChem (CID 96536191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).