2-[[2-[4-[[3-(2-methylpropoxy)benzoyl]amino]phenyl]acetyl]amino]acetic acid

C21H24N2O5 — CID 119224311

IUPAC2-[[2-[4-[[3-(2-methylpropoxy)benzoyl]amino]phenyl]acetyl]amino]acetic acid
SMILESCC(C)COc1cccc(C(=O)Nc2ccc(CC(=O)NCC(=O)O)cc2)c1
InChIInChI=1S/C21H24N2O5/c1-14(2)13-28-18-5-3-4-16(11-18)21(27)23-17-8-6-15(7-9-17)10-19(24)22-12-20(25)26/h3-9,11,14H,10,12-13H2,1-2H3,(H,22,24)(H,23,27)(H,25,26)
InChIKeyRDMQTYZBPNWXIS-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.72
Rot. Bonds9

About 2-[[2-[4-[[3-(2-methylpropoxy)benzoyl]amino]phenyl]acetyl]amino]acetic acid

2-[[2-[4-[[3-(2-methylpropoxy)benzoyl]amino]phenyl]acetyl]amino]acetic acid (PubChem CID 119224311) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-[[2-[4-[[3-(2-methylpropoxy)benzoyl]amino]phenyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[4-[[3-(2-methylpropoxy)benzoyl]amino]phenyl]acetyl]amino]acetic acid
PubChem CID119224311
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name2-[[2-[4-[[3-(2-methylpropoxy)benzoyl]amino]phenyl]acetyl]amino]acetic acid
SMILESCC(C)COc1cccc(C(=O)Nc2ccc(CC(=O)NCC(=O)O)cc2)c1
InChIInChI=1S/C21H24N2O5/c1-14(2)13-28-18-5-3-4-16(11-18)21(27)23-17-8-6-15(7-9-17)10-19(24)22-12-20(25)26/h3-9,11,14H,10,12-13H2,1-2H3,(H,22,24)(H,23,27)(H,25,26)
InChIKeyRDMQTYZBPNWXIS-UHFFFAOYSA-N
XLogP2.72
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[4-[[3-(2-methylpropoxy)benzoyl]amino]phenyl]acetyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide
CID 17148534
N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142469
2-[[4-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]benzoyl]amino]acetic acid
CID 119220369
3-(2-methylpropoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17140363
2-[[2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224414
methyl N-[4-[[[3-(2-methylpropoxy)benzoyl]amino]methyl]phenyl]carbamate
CID 55847451
N-(4-ethylsulfonylphenyl)-3-(2-methylpropoxy)benzamide
CID 39862674
3-(2-methylpropoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 17231448
N-(4-anilinophenyl)-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17140337
2-[3-[[4-[[4-(2-methylpropyl)phenyl]methoxy]phenyl]carbamoyl]phenoxy]acetic acid
CID 139610039
3-(2-methylpropoxy)-N-(4-piperidin-1-ylphenyl)benzamide
CID 7491837
N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide
CID 83030958

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[[3-(2-methylpropoxy)benzoyl]amino]phenyl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[4-[[3-(2-methylpropoxy)benzoyl]amino]phenyl]acetyl]amino]acetic acid (CID 119224311) is 2-[[2-[4-[[3-(2-methylpropoxy)benzoyl]amino]phenyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[4-[[3-(2-methylpropoxy)benzoyl]amino]phenyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[4-[[3-(2-methylpropoxy)benzoyl]amino]phenyl]acetyl]amino]acetic acid is CC(C)COc1cccc(C(=O)Nc2ccc(CC(=O)NCC(=O)O)cc2)c1.
What is the InChIKey of 2-[[2-[4-[[3-(2-methylpropoxy)benzoyl]amino]phenyl]acetyl]amino]acetic acid?
The InChIKey is RDMQTYZBPNWXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-14(2)13-28-18-5-3-4-16(11-18)21(27)23-17-8-6-15(7-9-17)10-19(24)22-12-20(25)26/h3-9,11,14H,10,12-13H2,1-2H3,(H,22,24)(H,23,27)(H,25,26).
What are the key properties of 2-[[2-[4-[[3-(2-methylpropoxy)benzoyl]amino]phenyl]acetyl]amino]acetic acid?
2-[[2-[4-[[3-(2-methylpropoxy)benzoyl]amino]phenyl]acetyl]amino]acetic acid has a molecular weight of 384.43 g/mol, XLogP of 2.72, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[[3-(2-methylpropoxy)benzoyl]amino]phenyl]acetyl]amino]acetic acid is sourced from PubChem (CID 119224311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).