2-methyl-N-[4-[(2-phenoxybutanoylamino)carbamoyl]phenyl]propanamide

C21H25N3O4 — CID 4929836

IUPAC2-methyl-N-[4-[(2-phenoxybutanoylamino)carbamoyl]phenyl]propanamide
SMILESCCC(Oc1ccccc1)C(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C21H25N3O4/c1-4-18(28-17-8-6-5-7-9-17)21(27)24-23-20(26)15-10-12-16(13-11-15)22-19(25)14(2)3/h5-14,18H,4H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyHOYYWGYSFDRLCQ-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.90
Rot. Bonds7

About 2-methyl-N-[4-[(2-phenoxybutanoylamino)carbamoyl]phenyl]propanamide

2-methyl-N-[4-[(2-phenoxybutanoylamino)carbamoyl]phenyl]propanamide (PubChem CID 4929836) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-methyl-N-[4-[(2-phenoxybutanoylamino)carbamoyl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[(2-phenoxybutanoylamino)carbamoyl]phenyl]propanamide
PubChem CID4929836
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name2-methyl-N-[4-[(2-phenoxybutanoylamino)carbamoyl]phenyl]propanamide
SMILESCCC(Oc1ccccc1)C(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C21H25N3O4/c1-4-18(28-17-8-6-5-7-9-17)21(27)24-23-20(26)15-10-12-16(13-11-15)22-19(25)14(2)3/h5-14,18H,4H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyHOYYWGYSFDRLCQ-UHFFFAOYSA-N
XLogP2.90
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.90
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-phenyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
CID 17073450
(2R)-N-(4-iodophenyl)-2-phenoxybutanamide
CID 1369955
N-[4-[[2-(3-methylphenoxy)butanoylamino]carbamoyl]phenyl]butanamide
CID 4928728
(2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide
CID 9296848
2-phenoxy-N-(4-phenylmethoxyphenyl)butanamide
CID 2944488
4-methyl-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide
CID 4928674
N-[4-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17235402
2-phenoxy-N-(4-phenyldiazenylphenyl)butanamide
CID 3643695
2-methyl-N-[4-[[[2-(2-phenoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide
CID 4954512
2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide
CID 40976571
2-methyl-N-[4-[(phenylcarbamothioylamino)carbamoyl]phenyl]propanamide
CID 1263273
3-methyl-N'-(2-phenoxybutanoyl)butanehydrazide
CID 24543011

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[(2-phenoxybutanoylamino)carbamoyl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[(2-phenoxybutanoylamino)carbamoyl]phenyl]propanamide (CID 4929836) is 2-methyl-N-[4-[(2-phenoxybutanoylamino)carbamoyl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[(2-phenoxybutanoylamino)carbamoyl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[(2-phenoxybutanoylamino)carbamoyl]phenyl]propanamide is CCC(Oc1ccccc1)C(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1.
What is the InChIKey of 2-methyl-N-[4-[(2-phenoxybutanoylamino)carbamoyl]phenyl]propanamide?
The InChIKey is HOYYWGYSFDRLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-4-18(28-17-8-6-5-7-9-17)21(27)24-23-20(26)15-10-12-16(13-11-15)22-19(25)14(2)3/h5-14,18H,4H2,1-3H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of 2-methyl-N-[4-[(2-phenoxybutanoylamino)carbamoyl]phenyl]propanamide?
2-methyl-N-[4-[(2-phenoxybutanoylamino)carbamoyl]phenyl]propanamide has a molecular weight of 383.45 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[(2-phenoxybutanoylamino)carbamoyl]phenyl]propanamide is sourced from PubChem (CID 4929836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).