N-[4-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]phenyl]propanamide

C19H21N3O4 — CID 1010721

IUPACN-[4-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2cccc(C)c2)cc1
InChIInChI=1S/C19H21N3O4/c1-3-17(23)20-15-9-7-14(8-10-15)19(25)22-21-18(24)12-26-16-6-4-5-13(2)11-16/h4-11H,3,12H2,1-2H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyUNQOOOWYRWKNPF-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.18
Rot. Bonds6

About N-[4-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]phenyl]propanamide

N-[4-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]phenyl]propanamide (PubChem CID 1010721) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[4-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]phenyl]propanamide
PubChem CID1010721
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-[4-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2cccc(C)c2)cc1
InChIInChI=1S/C19H21N3O4/c1-3-17(23)20-15-9-7-14(8-10-15)19(25)22-21-18(24)12-26-16-6-4-5-13(2)11-16/h4-11H,3,12H2,1-2H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyUNQOOOWYRWKNPF-UHFFFAOYSA-N
XLogP2.18
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2-methoxyphenyl)benzamide
CID 2317363
3-methoxy-N-(4-methylphenyl)benzamide
CID 827641
Acetamide, 2-(4-acetylphenoxy)-N-phenyl-
CID 204987
(2R)-N-[4-(benzoyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 1019881
2-phenoxy-N-[4-(pyrrolidinylcarbonyl)phenyl]acetamide
CID 1246899
N-(4-{[2-(2-methoxybenzoyl)hydrazino]carbonyl}phenyl)-3-methylbutanamide
CID 2213045
N,N-diethyl-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide
CID 2524725
2-[N'-(4-Methoxy-benzoyl)-hydrazino]-2-oxo-N-p-tolyl-acetamide
CID 3117687
N-(4-Ethyl-phenyl)-2-[N'-(3-methoxy-benzoyl)-hydrazino]-2-oxo-acetamide
CID 3117688
N-[4-(4-morpholinylmethyl)phenyl]-3-propoxybenzamide
CID 4459139
Ethyl 4-{[(2-methoxyphenoxy)acetyl]amino}benzoate
CID 661259
2-(2-p-Tolyloxy-acetylamino)-benzamide
CID 759059

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]phenyl]propanamide?
The IUPAC name of N-[4-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]phenyl]propanamide (CID 1010721) is N-[4-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]phenyl]propanamide?
The canonical SMILES for N-[4-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]phenyl]propanamide is CCC(=O)Nc1ccc(C(=O)NNC(=O)COc2cccc(C)c2)cc1.
What is the InChIKey of N-[4-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]phenyl]propanamide?
The InChIKey is UNQOOOWYRWKNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-3-17(23)20-15-9-7-14(8-10-15)19(25)22-21-18(24)12-26-16-6-4-5-13(2)11-16/h4-11H,3,12H2,1-2H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of N-[4-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]phenyl]propanamide?
N-[4-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]phenyl]propanamide has a molecular weight of 355.39 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]phenyl]propanamide is sourced from PubChem (CID 1010721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).