5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid

C14H20N2O4 — CID 63653024

IUPAC5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid
SMILESCc1ccc(NC(=O)N(CCO)C(C)C)cc1C(=O)O
InChIInChI=1S/C14H20N2O4/c1-9(2)16(6-7-17)14(20)15-11-5-4-10(3)12(8-11)13(18)19/h4-5,8-9,17H,6-7H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyCQZJHBWHEDTISX-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.93
Rot. Bonds5

About 5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid

5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid (PubChem CID 63653024) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid
PubChem CID63653024
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid
SMILESCc1ccc(NC(=O)N(CCO)C(C)C)cc1C(=O)O
InChIInChI=1S/C14H20N2O4/c1-9(2)16(6-7-17)14(20)15-11-5-4-10(3)12(8-11)13(18)19/h4-5,8-9,17H,6-7H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyCQZJHBWHEDTISX-UHFFFAOYSA-N
XLogP1.93
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid
CID 63653539
3-[3-(difluoromethoxy)-4-methylphenyl]-1-(2-hydroxyethyl)-1-propan-2-ylurea
CID 75521625
2-fluoro-5-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid
CID 61193998
2-methyl-5-[[methyl(3-methylbutyl)carbamoyl]amino]benzoic acid
CID 63653370
5-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid
CID 63653720
5-[[ethyl(methyl)carbamoyl]amino]-2-methylbenzoic acid
CID 63653015
5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158042
1-(3-amino-3-hydroxyiminopropyl)-3-(3-chloro-4-methylphenyl)-1-propan-2-ylurea
CID 76911557
5-[bis(prop-2-enyl)carbamoylamino]-2-methylbenzoic acid
CID 63654218
2-methyl-5-(2-methylpropylcarbamoylamino)benzoic acid
CID 63652124
3-[4-chloro-3-(difluoromethoxy)phenyl]-1-(2-hydroxyethyl)-1-propan-2-ylurea
CID 75505419
2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-propan-2-ylamino]acetic acid
CID 115378571

Frequently Asked Questions

What is the IUPAC name of 5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid?
The IUPAC name of 5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid (CID 63653024) is 5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid.
What is the SMILES notation for 5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid?
The canonical SMILES for 5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid is Cc1ccc(NC(=O)N(CCO)C(C)C)cc1C(=O)O.
What is the InChIKey of 5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid?
The InChIKey is CQZJHBWHEDTISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(2)16(6-7-17)14(20)15-11-5-4-10(3)12(8-11)13(18)19/h4-5,8-9,17H,6-7H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid?
5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid is sourced from PubChem (CID 63653024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).