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

C23H27N3O5 — CID 121062396

IUPACN-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzamide
SMILESCOc1ccc(CC(=O)Nc2ccc(C(=O)NCCNC(=O)C3CC3)cc2)cc1OC
InChIInChI=1S/C23H27N3O5/c1-30-19-10-3-15(13-20(19)31-2)14-21(27)26-18-8-6-17(7-9-18)23(29)25-12-11-24-22(28)16-4-5-16/h3,6-10,13,16H,4-5,11-12,14H2,1-2H3,(H,24,28)(H,25,29)(H,26,27)
InChIKeyBJSDWTHCYANQLG-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.14
Rot. Bonds10

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

N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzamide (PubChem CID 121062396) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzamide
PubChem CID121062396
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC NameN-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzamide
SMILESCOc1ccc(CC(=O)Nc2ccc(C(=O)NCCNC(=O)C3CC3)cc2)cc1OC
InChIInChI=1S/C23H27N3O5/c1-30-19-10-3-15(13-20(19)31-2)14-21(27)26-18-8-6-17(7-9-18)23(29)25-12-11-24-22(28)16-4-5-16/h3,6-10,13,16H,4-5,11-12,14H2,1-2H3,(H,24,28)(H,25,29)(H,26,27)
InChIKeyBJSDWTHCYANQLG-UHFFFAOYSA-N
XLogP2.14
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide
CID 32968765
N-[2-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoyl]amino]ethyl]thiophene-2-carboxamide
CID 121062906
5-chloro-N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-methoxybenzamide
CID 121062446
N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide
CID 47120108
4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid
CID 2738551
N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethoxy-4-methoxybenzamide
CID 51153110
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide
CID 121062535
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687188
N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 7741769
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-4-phenylbenzamide
CID 108538456
2-(3-chloro-4-methoxyphenyl)-N-[4-[(cyclohexanecarbonylamino)carbamoyl]phenyl]acetamide
CID 71656488
2-[[2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224501

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzamide?
The IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzamide (CID 121062396) is N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzamide?
The canonical SMILES for N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzamide is COc1ccc(CC(=O)Nc2ccc(C(=O)NCCNC(=O)C3CC3)cc2)cc1OC.
What is the InChIKey of N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzamide?
The InChIKey is BJSDWTHCYANQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-30-19-10-3-15(13-20(19)31-2)14-21(27)26-18-8-6-17(7-9-18)23(29)25-12-11-24-22(28)16-4-5-16/h3,6-10,13,16H,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-dimethoxyphenyl)acetyl]amino]benzamide?
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzamide has a molecular weight of 425.49 g/mol, XLogP of 2.14, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzamide is sourced from PubChem (CID 121062396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).