3-amino-N-[3-methyl-4-(3-phenoxypropanoylamino)phenyl]propanamide

C19H23N3O3 — CID 82034579

IUPAC3-amino-N-[3-methyl-4-(3-phenoxypropanoylamino)phenyl]propanamide
SMILESCc1cc(NC(=O)CCN)ccc1NC(=O)CCOc1ccccc1
InChIInChI=1S/C19H23N3O3/c1-14-13-15(21-18(23)9-11-20)7-8-17(14)22-19(24)10-12-25-16-5-3-2-4-6-16/h2-8,13H,9-12,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyCWLIAAAZZNNPKA-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.69
Rot. Bonds8

About 3-amino-N-[3-methyl-4-(3-phenoxypropanoylamino)phenyl]propanamide

3-amino-N-[3-methyl-4-(3-phenoxypropanoylamino)phenyl]propanamide (PubChem CID 82034579) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-amino-N-[3-methyl-4-(3-phenoxypropanoylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[3-methyl-4-(3-phenoxypropanoylamino)phenyl]propanamide
PubChem CID82034579
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-amino-N-[3-methyl-4-(3-phenoxypropanoylamino)phenyl]propanamide
SMILESCc1cc(NC(=O)CCN)ccc1NC(=O)CCOc1ccccc1
InChIInChI=1S/C19H23N3O3/c1-14-13-15(21-18(23)9-11-20)7-8-17(14)22-19(24)10-12-25-16-5-3-2-4-6-16/h2-8,13H,9-12,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyCWLIAAAZZNNPKA-UHFFFAOYSA-N
XLogP2.69
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-4-(propanoylamino)phenyl]-4-phenoxybutanamide
CID 131947688
N-(2-methylphenyl)-3-phenoxypropanamide
CID 725619
N-(4-acetamido-3-methylphenyl)-3-aminopropanamide
CID 43698824
N-(4-amino-2,5-dimethylphenyl)-3-phenoxypropanamide
CID 54521750
3-amino-N-(4-butoxy-2-methylphenyl)propanamide
CID 39353448
N-(2-amino-4,5-dimethylphenyl)-3-phenoxypropanamide
CID 62098253
N-(4-chloro-2-methylphenyl)-3-(4-methylphenoxy)propanamide
CID 7914785
3-amino-N-[3-methyl-4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]propanamide
CID 82034593
3-amino-N-[2-ethyl-5-[(2-phenoxyacetyl)amino]phenyl]propanamide
CID 82034547
N-[2-(3-aminopropanoylamino)phenyl]-4-phenoxybutanamide
CID 82034361
N-(2-aminophenyl)-3-phenoxypropanamide
CID 16790214
N-(4-amino-3-bromophenyl)-3-phenoxypropanamide
CID 82861847

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-methyl-4-(3-phenoxypropanoylamino)phenyl]propanamide?
The IUPAC name of 3-amino-N-[3-methyl-4-(3-phenoxypropanoylamino)phenyl]propanamide (CID 82034579) is 3-amino-N-[3-methyl-4-(3-phenoxypropanoylamino)phenyl]propanamide.
What is the SMILES notation for 3-amino-N-[3-methyl-4-(3-phenoxypropanoylamino)phenyl]propanamide?
The canonical SMILES for 3-amino-N-[3-methyl-4-(3-phenoxypropanoylamino)phenyl]propanamide is Cc1cc(NC(=O)CCN)ccc1NC(=O)CCOc1ccccc1.
What is the InChIKey of 3-amino-N-[3-methyl-4-(3-phenoxypropanoylamino)phenyl]propanamide?
The InChIKey is CWLIAAAZZNNPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-13-15(21-18(23)9-11-20)7-8-17(14)22-19(24)10-12-25-16-5-3-2-4-6-16/h2-8,13H,9-12,20H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 3-amino-N-[3-methyl-4-(3-phenoxypropanoylamino)phenyl]propanamide?
3-amino-N-[3-methyl-4-(3-phenoxypropanoylamino)phenyl]propanamide has a molecular weight of 341.41 g/mol, XLogP of 2.69, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-methyl-4-(3-phenoxypropanoylamino)phenyl]propanamide is sourced from PubChem (CID 82034579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).