N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide

C23H27N3O4 — CID 121062535

IUPACN-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide
SMILESCc1ccc(OCC(=O)Nc2ccc(C(=O)NCCNC(=O)C3CC3)cc2)cc1C
InChIInChI=1S/C23H27N3O4/c1-15-3-10-20(13-16(15)2)30-14-21(27)26-19-8-6-18(7-9-19)23(29)25-12-11-24-22(28)17-4-5-17/h3,6-10,13,17H,4-5,11-12,14H2,1-2H3,(H,24,28)(H,25,29)(H,26,27)
InChIKeyAQMZPNNBPOTDPV-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.58
Rot. Bonds9

About N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide

N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide (PubChem CID 121062535) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide
PubChem CID121062535
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide
SMILESCc1ccc(OCC(=O)Nc2ccc(C(=O)NCCNC(=O)C3CC3)cc2)cc1C
InChIInChI=1S/C23H27N3O4/c1-15-3-10-20(13-16(15)2)30-14-21(27)26-19-8-6-18(7-9-19)23(29)25-12-11-24-22(28)17-4-5-17/h3,6-10,13,17H,4-5,11-12,14H2,1-2H3,(H,24,28)(H,25,29)(H,26,27)
InChIKeyAQMZPNNBPOTDPV-UHFFFAOYSA-N
XLogP2.58
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.58
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

N-(2-acetamidoethyl)-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide
CID 121062184
4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 121062397
N-[2-[[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062689
4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17359274
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide
CID 121062403
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzamide
CID 121062396
N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide
CID 47120108
4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide
CID 8000257
2-(3,4-dimethylphenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295499
2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 7316235
N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 55545672
N-[2-(cyclohexanecarbonylamino)ethyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55805957

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide (CID 121062535) is N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide is Cc1ccc(OCC(=O)Nc2ccc(C(=O)NCCNC(=O)C3CC3)cc2)cc1C.
What is the InChIKey of N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide?
The InChIKey is AQMZPNNBPOTDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-15-3-10-20(13-16(15)2)30-14-21(27)26-19-8-6-18(7-9-19)23(29)25-12-11-24-22(28)17-4-5-17/h3,6-10,13,17H,4-5,11-12,14H2,1-2H3,(H,24,28)(H,25,29)(H,26,27).
What are the key properties of N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide?
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide has a molecular weight of 409.49 g/mol, XLogP of 2.58, 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-(3,4-dimethylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 121062535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).