N-[2-(cyclopentylcarbamoylamino)ethyl]-4-(3-methoxyphenyl)benzamide

C22H27N3O3 — CID 134804028

IUPACN-[2-(cyclopentylcarbamoylamino)ethyl]-4-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(-c2ccc(C(=O)NCCNC(=O)NC3CCCC3)cc2)c1
InChIInChI=1S/C22H27N3O3/c1-28-20-8-4-5-18(15-20)16-9-11-17(12-10-16)21(26)23-13-14-24-22(27)25-19-6-2-3-7-19/h4-5,8-12,15,19H,2-3,6-7,13-14H2,1H3,(H,23,26)(H2,24,25,27)
InChIKeyZRVPDBAESZWUDV-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.33
Rot. Bonds7

About N-[2-(cyclopentylcarbamoylamino)ethyl]-4-(3-methoxyphenyl)benzamide

N-[2-(cyclopentylcarbamoylamino)ethyl]-4-(3-methoxyphenyl)benzamide (PubChem CID 134804028) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[2-(cyclopentylcarbamoylamino)ethyl]-4-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-[2-(cyclopentylcarbamoylamino)ethyl]-4-(3-methoxyphenyl)benzamide
PubChem CID134804028
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[2-(cyclopentylcarbamoylamino)ethyl]-4-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(-c2ccc(C(=O)NCCNC(=O)NC3CCCC3)cc2)c1
InChIInChI=1S/C22H27N3O3/c1-28-20-8-4-5-18(15-20)16-9-11-17(12-10-16)21(26)23-13-14-24-22(27)25-19-6-2-3-7-19/h4-5,8-12,15,19H,2-3,6-7,13-14H2,1H3,(H,23,26)(H2,24,25,27)
InChIKeyZRVPDBAESZWUDV-UHFFFAOYSA-N
XLogP3.33
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[2-[[4-(3-methoxyphenyl)benzoyl]amino]ethyl]benzamide
CID 134802561
4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 109048043
N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide
CID 17226027
3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 40718395
N-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]benzamide
CID 134801898
1-cyclopentyl-3-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]urea
CID 134802563
3-(cyclohexylcarbamoylamino)-N-[2-(3-methoxyphenoxy)ethyl]propanamide
CID 46413738
4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide
CID 109044769
N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide
CID 134039540
3-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,3-dicarboxamide
CID 109051864
2-(cyclohexylamino)oxy-2-hydroxy-1-[4-(3-methoxyphenyl)phenyl]ethanone
CID 57232180
N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509722

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylcarbamoylamino)ethyl]-4-(3-methoxyphenyl)benzamide?
The IUPAC name of N-[2-(cyclopentylcarbamoylamino)ethyl]-4-(3-methoxyphenyl)benzamide (CID 134804028) is N-[2-(cyclopentylcarbamoylamino)ethyl]-4-(3-methoxyphenyl)benzamide.
What is the SMILES notation for N-[2-(cyclopentylcarbamoylamino)ethyl]-4-(3-methoxyphenyl)benzamide?
The canonical SMILES for N-[2-(cyclopentylcarbamoylamino)ethyl]-4-(3-methoxyphenyl)benzamide is COc1cccc(-c2ccc(C(=O)NCCNC(=O)NC3CCCC3)cc2)c1.
What is the InChIKey of N-[2-(cyclopentylcarbamoylamino)ethyl]-4-(3-methoxyphenyl)benzamide?
The InChIKey is ZRVPDBAESZWUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-28-20-8-4-5-18(15-20)16-9-11-17(12-10-16)21(26)23-13-14-24-22(27)25-19-6-2-3-7-19/h4-5,8-12,15,19H,2-3,6-7,13-14H2,1H3,(H,23,26)(H2,24,25,27).
What are the key properties of N-[2-(cyclopentylcarbamoylamino)ethyl]-4-(3-methoxyphenyl)benzamide?
N-[2-(cyclopentylcarbamoylamino)ethyl]-4-(3-methoxyphenyl)benzamide has a molecular weight of 381.48 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylcarbamoylamino)ethyl]-4-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 134804028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).