1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-(morpholin-2-ylmethyl)urea;hydrochloride

C17H21ClN4O4 — CID 154901402

IUPAC1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-(morpholin-2-ylmethyl)urea;hydrochloride
SMILESCl.O=C(NCC1CNCCO1)Nc1ccc2c(c1)C(=O)N(C1CC1)C2=O
InChIInChI=1S/C17H20N4O4.ClH/c22-15-13-4-1-10(7-14(13)16(23)21(15)11-2-3-11)20-17(24)19-9-12-8-18-5-6-25-12;/h1,4,7,11-12,18H,2-3,5-6,8-9H2,(H2,19,20,24);1H
InChIKeyXQJASUFVUCJKHI-UHFFFAOYSA-N
MW380.83 g/mol
LogP0.98
Rot. Bonds4

About 1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-(morpholin-2-ylmethyl)urea;hydrochloride

1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-(morpholin-2-ylmethyl)urea;hydrochloride (PubChem CID 154901402) has the molecular formula C17H21ClN4O4 and a molecular weight of 380.83 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-(morpholin-2-ylmethyl)urea;hydrochloride.

Molecular Properties

Compound Name1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-(morpholin-2-ylmethyl)urea;hydrochloride
PubChem CID154901402
Molecular FormulaC17H21ClN4O4
Molecular Weight380.83 g/mol
Exact Mass380.13
IUPAC Name1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-(morpholin-2-ylmethyl)urea;hydrochloride
SMILESCl.O=C(NCC1CNCCO1)Nc1ccc2c(c1)C(=O)N(C1CC1)C2=O
InChIInChI=1S/C17H20N4O4.ClH/c22-15-13-4-1-10(7-14(13)16(23)21(15)11-2-3-11)20-17(24)19-9-12-8-18-5-6-25-12;/h1,4,7,11-12,18H,2-3,5-6,8-9H2,(H2,19,20,24);1H
InChIKeyXQJASUFVUCJKHI-UHFFFAOYSA-N
XLogP0.98
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-[[(6R)-4-methyl-1,4-oxazepan-6-yl]methyl]urea
CID 126449692
1-(morpholin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 61315356
N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119701987
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(2-hydroxypropyl)urea
CID 108874045
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(4-methylphenyl)urea
CID 108873895
1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 125165743
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(3-phenylpropyl)urea
CID 108874248
1-[(3-bromophenyl)methyl]-3-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)urea
CID 108874226
1-[[3-(aminomethyl)phenyl]methyl]-3-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)urea
CID 108874028
1-(2-methoxy-5-phenylphenyl)-3-(morpholin-2-ylmethyl)urea
CID 74245608
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-[4-(diethylamino)phenyl]urea
CID 108874139
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(4-propan-2-ylphenyl)urea
CID 108873904

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-(morpholin-2-ylmethyl)urea;hydrochloride?
The IUPAC name of 1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-(morpholin-2-ylmethyl)urea;hydrochloride (CID 154901402) is 1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-(morpholin-2-ylmethyl)urea;hydrochloride.
What is the SMILES notation for 1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-(morpholin-2-ylmethyl)urea;hydrochloride?
The canonical SMILES for 1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-(morpholin-2-ylmethyl)urea;hydrochloride is Cl.O=C(NCC1CNCCO1)Nc1ccc2c(c1)C(=O)N(C1CC1)C2=O.
What is the InChIKey of 1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-(morpholin-2-ylmethyl)urea;hydrochloride?
The InChIKey is XQJASUFVUCJKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4.ClH/c22-15-13-4-1-10(7-14(13)16(23)21(15)11-2-3-11)20-17(24)19-9-12-8-18-5-6-25-12;/h1,4,7,11-12,18H,2-3,5-6,8-9H2,(H2,19,20,24);1H.
What are the key properties of 1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-(morpholin-2-ylmethyl)urea;hydrochloride?
1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-(morpholin-2-ylmethyl)urea;hydrochloride has a molecular weight of 380.83 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-(morpholin-2-ylmethyl)urea;hydrochloride is sourced from PubChem (CID 154901402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).