2-carbamoyl-3-phenylbenzoic acid;N',N'-dimethylethane-1,2-diamine

C18H23N3O3 — CID 175433920

IUPAC2-carbamoyl-3-phenylbenzoic acid;N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCN.NC(=O)c1c(C(=O)O)cccc1-c1ccccc1
InChIInChI=1S/C14H11NO3.C4H12N2/c15-13(16)12-10(9-5-2-1-3-6-9)7-4-8-11(12)14(17)18;1-6(2)4-3-5/h1-8H,(H2,15,16)(H,17,18);3-5H2,1-2H3
InChIKeyGJTZJASUCJQOHV-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.66
Rot. Bonds5

About 2-carbamoyl-3-phenylbenzoic acid;N',N'-dimethylethane-1,2-diamine

2-carbamoyl-3-phenylbenzoic acid;N',N'-dimethylethane-1,2-diamine (PubChem CID 175433920) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-carbamoyl-3-phenylbenzoic acid;N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name2-carbamoyl-3-phenylbenzoic acid;N',N'-dimethylethane-1,2-diamine
PubChem CID175433920
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-carbamoyl-3-phenylbenzoic acid;N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCN.NC(=O)c1c(C(=O)O)cccc1-c1ccccc1
InChIInChI=1S/C14H11NO3.C4H12N2/c15-13(16)12-10(9-5-2-1-3-6-9)7-4-8-11(12)14(17)18;1-6(2)4-3-5/h1-8H,(H2,15,16)(H,17,18);3-5H2,1-2H3
InChIKeyGJTZJASUCJQOHV-UHFFFAOYSA-N
XLogP1.66
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 175433924
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CID 70111879
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CID 70546597

Frequently Asked Questions

What is the IUPAC name of 2-carbamoyl-3-phenylbenzoic acid;N',N'-dimethylethane-1,2-diamine?
The IUPAC name of 2-carbamoyl-3-phenylbenzoic acid;N',N'-dimethylethane-1,2-diamine (CID 175433920) is 2-carbamoyl-3-phenylbenzoic acid;N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for 2-carbamoyl-3-phenylbenzoic acid;N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for 2-carbamoyl-3-phenylbenzoic acid;N',N'-dimethylethane-1,2-diamine is CN(C)CCN.NC(=O)c1c(C(=O)O)cccc1-c1ccccc1.
What is the InChIKey of 2-carbamoyl-3-phenylbenzoic acid;N',N'-dimethylethane-1,2-diamine?
The InChIKey is GJTZJASUCJQOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3.C4H12N2/c15-13(16)12-10(9-5-2-1-3-6-9)7-4-8-11(12)14(17)18;1-6(2)4-3-5/h1-8H,(H2,15,16)(H,17,18);3-5H2,1-2H3.
What are the key properties of 2-carbamoyl-3-phenylbenzoic acid;N',N'-dimethylethane-1,2-diamine?
2-carbamoyl-3-phenylbenzoic acid;N',N'-dimethylethane-1,2-diamine has a molecular weight of 329.40 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyl-3-phenylbenzoic acid;N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 175433920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).