3-(cyclohexanecarbonylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide

C19H27N3O3 — CID 120948547

IUPAC3-(cyclohexanecarbonylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
SMILESO=C(NCC1CNCC1O)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C19H27N3O3/c23-17-12-20-10-15(17)11-21-18(24)14-7-4-8-16(9-14)22-19(25)13-5-2-1-3-6-13/h4,7-9,13,15,17,20,23H,1-3,5-6,10-12H2,(H,21,24)(H,22,25)
InChIKeyKLQYTTLZVXQCOJ-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.52
Rot. Bonds5

About 3-(cyclohexanecarbonylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide

3-(cyclohexanecarbonylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide (PubChem CID 120948547) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-(cyclohexanecarbonylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(cyclohexanecarbonylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
PubChem CID120948547
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name3-(cyclohexanecarbonylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
SMILESO=C(NCC1CNCC1O)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C19H27N3O3/c23-17-12-20-10-15(17)11-21-18(24)14-7-4-8-16(9-14)22-19(25)13-5-2-1-3-6-13/h4,7-9,13,15,17,20,23H,1-3,5-6,10-12H2,(H,21,24)(H,22,25)
InChIKeyKLQYTTLZVXQCOJ-UHFFFAOYSA-N
XLogP1.52
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexanecarbonylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 3-(cyclohexanecarbonylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide (CID 120948547) is 3-(cyclohexanecarbonylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 3-(cyclohexanecarbonylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 3-(cyclohexanecarbonylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide is O=C(NCC1CNCC1O)c1cccc(NC(=O)C2CCCCC2)c1.
What is the InChIKey of 3-(cyclohexanecarbonylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
The InChIKey is KLQYTTLZVXQCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-17-12-20-10-15(17)11-21-18(24)14-7-4-8-16(9-14)22-19(25)13-5-2-1-3-6-13/h4,7-9,13,15,17,20,23H,1-3,5-6,10-12H2,(H,21,24)(H,22,25).
What are the key properties of 3-(cyclohexanecarbonylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
3-(cyclohexanecarbonylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide has a molecular weight of 345.44 g/mol, XLogP of 1.52, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexanecarbonylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 120948547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).