N-[2-(cyclopropanecarbonylamino)ethyl]-4-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide

C24H29N3O4 — CID 121062532

IUPACN-[2-(cyclopropanecarbonylamino)ethyl]-4-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide
SMILESCc1ccc(C)c(OC(C)C(=O)Nc2ccc(C(=O)NCCNC(=O)C3CC3)cc2)c1
InChIInChI=1S/C24H29N3O4/c1-15-4-5-16(2)21(14-15)31-17(3)22(28)27-20-10-8-19(9-11-20)24(30)26-13-12-25-23(29)18-6-7-18/h4-5,8-11,14,17-18H,6-7,12-13H2,1-3H3,(H,25,29)(H,26,30)(H,27,28)
InChIKeyGMGPBTDGFOPWBU-UHFFFAOYSA-N
MW423.51 g/mol
LogP2.97
Rot. Bonds9

About N-[2-(cyclopropanecarbonylamino)ethyl]-4-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide

N-[2-(cyclopropanecarbonylamino)ethyl]-4-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide (PubChem CID 121062532) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonylamino)ethyl]-4-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonylamino)ethyl]-4-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide
PubChem CID121062532
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-[2-(cyclopropanecarbonylamino)ethyl]-4-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide
SMILESCc1ccc(C)c(OC(C)C(=O)Nc2ccc(C(=O)NCCNC(=O)C3CC3)cc2)c1
InChIInChI=1S/C24H29N3O4/c1-15-4-5-16(2)21(14-15)31-17(3)22(28)27-20-10-8-19(9-11-20)24(30)26-13-12-25-23(29)18-6-7-18/h4-5,8-11,14,17-18H,6-7,12-13H2,1-3H3,(H,25,29)(H,26,30)(H,27,28)
InChIKeyGMGPBTDGFOPWBU-UHFFFAOYSA-N
XLogP2.97
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide
CID 4945097
N-(4-acetamidophenyl)-2-(2,5-dimethylphenoxy)propanamide
CID 4944630
4-tert-butyl-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]benzamide
CID 17235031
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2-ethylbutanoylamino)benzamide
CID 121062485
2-(2,5-dimethylphenoxy)-N-[4-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenoxy]phenyl]propanamide
CID 4945102
(2R)-2-(2,5-dimethylphenoxy)-N-phenylpropanamide
CID 7379538
(2R)-2-(2,5-dimethylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 40771491
(2R)-2-(2,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100504761
N-[4-(dimethylamino)phenyl]-2-(2,5-dimethylphenoxy)propanamide
CID 53266988
N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide
CID 47120108
N-butyl-4-[2-(2-methylphenoxy)propanoylamino]benzamide
CID 17195203
N'-[2-(2,5-dimethylphenoxy)propanoyl]cyclohexanecarbohydrazide
CID 4945045

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-4-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide?
The IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-4-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide (CID 121062532) is N-[2-(cyclopropanecarbonylamino)ethyl]-4-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonylamino)ethyl]-4-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide?
The canonical SMILES for N-[2-(cyclopropanecarbonylamino)ethyl]-4-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide is Cc1ccc(C)c(OC(C)C(=O)Nc2ccc(C(=O)NCCNC(=O)C3CC3)cc2)c1.
What is the InChIKey of N-[2-(cyclopropanecarbonylamino)ethyl]-4-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide?
The InChIKey is GMGPBTDGFOPWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-15-4-5-16(2)21(14-15)31-17(3)22(28)27-20-10-8-19(9-11-20)24(30)26-13-12-25-23(29)18-6-7-18/h4-5,8-11,14,17-18H,6-7,12-13H2,1-3H3,(H,25,29)(H,26,30)(H,27,28).
What are the key properties of N-[2-(cyclopropanecarbonylamino)ethyl]-4-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide?
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide has a molecular weight of 423.51 g/mol, XLogP of 2.97, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonylamino)ethyl]-4-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide is sourced from PubChem (CID 121062532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).