4-[(3R)-3-(phenacylamino)butyl]benzamide

C19H22N2O2 — CID 23647079

IUPAC4-[(3R)-3-(phenacylamino)butyl]benzamide
SMILESC[C@H](CCc1ccc(C(N)=O)cc1)NCC(=O)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-14(21-13-18(22)16-5-3-2-4-6-16)7-8-15-9-11-17(12-10-15)19(20)23/h2-6,9-12,14,21H,7-8,13H2,1H3,(H2,20,23)/t14-/m1/s1
InChIKeyDXOVKHVQJMNQMP-CQSZACIVSA-N
MW310.40 g/mol
LogP2.58
Rot. Bonds8

About 4-[(3R)-3-(phenacylamino)butyl]benzamide

4-[(3R)-3-(phenacylamino)butyl]benzamide (PubChem CID 23647079) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-[(3R)-3-(phenacylamino)butyl]benzamide.

Molecular Properties

Compound Name4-[(3R)-3-(phenacylamino)butyl]benzamide
PubChem CID23647079
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-[(3R)-3-(phenacylamino)butyl]benzamide
SMILESC[C@H](CCc1ccc(C(N)=O)cc1)NCC(=O)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-14(21-13-18(22)16-5-3-2-4-6-16)7-8-15-9-11-17(12-10-15)19(20)23/h2-6,9-12,14,21H,7-8,13H2,1H3,(H2,20,23)/t14-/m1/s1
InChIKeyDXOVKHVQJMNQMP-CQSZACIVSA-N
XLogP2.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(phenacylamino)butyl]benzamide?
The IUPAC name of 4-[(3R)-3-(phenacylamino)butyl]benzamide (CID 23647079) is 4-[(3R)-3-(phenacylamino)butyl]benzamide.
What is the SMILES notation for 4-[(3R)-3-(phenacylamino)butyl]benzamide?
The canonical SMILES for 4-[(3R)-3-(phenacylamino)butyl]benzamide is C[C@H](CCc1ccc(C(N)=O)cc1)NCC(=O)c1ccccc1.
What is the InChIKey of 4-[(3R)-3-(phenacylamino)butyl]benzamide?
The InChIKey is DXOVKHVQJMNQMP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14(21-13-18(22)16-5-3-2-4-6-16)7-8-15-9-11-17(12-10-15)19(20)23/h2-6,9-12,14,21H,7-8,13H2,1H3,(H2,20,23)/t14-/m1/s1.
What are the key properties of 4-[(3R)-3-(phenacylamino)butyl]benzamide?
4-[(3R)-3-(phenacylamino)butyl]benzamide has a molecular weight of 310.40 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(phenacylamino)butyl]benzamide is sourced from PubChem (CID 23647079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).