N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide

C20H25N3O3 — CID 54825188

IUPACN-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide
SMILESCCCOc1cccc(NCC(=O)Nc2cccc(NC(=O)CC)c2)c1
InChIInChI=1S/C20H25N3O3/c1-3-11-26-18-10-6-7-15(13-18)21-14-20(25)23-17-9-5-8-16(12-17)22-19(24)4-2/h5-10,12-13,21H,3-4,11,14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyCKNHJOUWACGQAA-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.87
Rot. Bonds9

About N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide

N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide (PubChem CID 54825188) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide
PubChem CID54825188
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide
SMILESCCCOc1cccc(NCC(=O)Nc2cccc(NC(=O)CC)c2)c1
InChIInChI=1S/C20H25N3O3/c1-3-11-26-18-10-6-7-15(13-18)21-14-20(25)23-17-9-5-8-16(12-17)22-19(24)4-2/h5-10,12-13,21H,3-4,11,14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyCKNHJOUWACGQAA-UHFFFAOYSA-N
XLogP3.87
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54827552
N-(4-methylphenyl)-2-(3-propoxyanilino)acetamide
CID 36860720
N-(3-prop-2-enoxyphenyl)-2-(3-propoxyanilino)acetamide
CID 54824851
2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54820125
N-[3-(2-methylprop-2-enoxy)phenyl]-2-(3-propoxyanilino)acetamide
CID 54824758
N-[3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide
CID 54826616
3-phenyl-N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide
CID 54825190
2-(3-chloro-4-methylanilino)-N-(3-propoxyphenyl)acetamide
CID 54815945
N-[3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54830494
N-[3-(2-methoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820051
N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide
CID 54829112
N-ethyl-3-[[2-(3-propoxyanilino)acetyl]amino]benzamide
CID 36861007

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide (CID 54825188) is N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide is CCCOc1cccc(NCC(=O)Nc2cccc(NC(=O)CC)c2)c1.
What is the InChIKey of N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide?
The InChIKey is CKNHJOUWACGQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-3-11-26-18-10-6-7-15(13-18)21-14-20(25)23-17-9-5-8-16(12-17)22-19(24)4-2/h5-10,12-13,21H,3-4,11,14H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide?
N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide has a molecular weight of 355.44 g/mol, XLogP of 3.87, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 54825188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).