N-[2-(tert-butylcarbamoylamino)ethyl]-4-(cyclopentanecarbonylamino)benzamide

C20H30N4O3 — CID 121063312

IUPACN-[2-(tert-butylcarbamoylamino)ethyl]-4-(cyclopentanecarbonylamino)benzamide
SMILESCC(C)(C)NC(=O)NCCNC(=O)c1ccc(NC(=O)C2CCCC2)cc1
InChIInChI=1S/C20H30N4O3/c1-20(2,3)24-19(27)22-13-12-21-17(25)15-8-10-16(11-9-15)23-18(26)14-6-4-5-7-14/h8-11,14H,4-7,12-13H2,1-3H3,(H,21,25)(H,23,26)(H2,22,24,27)
InChIKeyZNJZFEFDZPPRCN-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.64
Rot. Bonds6

About N-[2-(tert-butylcarbamoylamino)ethyl]-4-(cyclopentanecarbonylamino)benzamide

N-[2-(tert-butylcarbamoylamino)ethyl]-4-(cyclopentanecarbonylamino)benzamide (PubChem CID 121063312) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[2-(tert-butylcarbamoylamino)ethyl]-4-(cyclopentanecarbonylamino)benzamide.

Molecular Properties

Compound NameN-[2-(tert-butylcarbamoylamino)ethyl]-4-(cyclopentanecarbonylamino)benzamide
PubChem CID121063312
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC NameN-[2-(tert-butylcarbamoylamino)ethyl]-4-(cyclopentanecarbonylamino)benzamide
SMILESCC(C)(C)NC(=O)NCCNC(=O)c1ccc(NC(=O)C2CCCC2)cc1
InChIInChI=1S/C20H30N4O3/c1-20(2,3)24-19(27)22-13-12-21-17(25)15-8-10-16(11-9-15)23-18(26)14-6-4-5-7-14/h8-11,14H,4-7,12-13H2,1-3H3,(H,21,25)(H,23,26)(H2,22,24,27)
InChIKeyZNJZFEFDZPPRCN-UHFFFAOYSA-N
XLogP2.64
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide
CID 121063342
4-(cyclopentanecarbonylamino)-N-[2-[(2-methylphenyl)carbamoylamino]ethyl]benzamide
CID 121063331
4-(cyclopentanecarbonylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062258
4-(cyclohexanecarbonylamino)-N-propylbenzamide
CID 17218748
N-[2-[(4-chlorophenyl)methylcarbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide
CID 121063337
4-(cyclopentanecarbonylamino)-N-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 121063317
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 121062502
4-(cyclobutanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 47309837
N-[4-(methylaminocarbamoyl)phenyl]cyclobutanecarboxamide
CID 177007541
4-tert-butyl-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
CID 26058928
N-[4-(2-bromo-2-methylpropanoyl)phenyl]cyclohexanecarboxamide
CID 82258980
N-[3-(4-bromoanilino)-3-oxopropyl]-4-(cyclopropanecarbonylamino)benzamide
CID 52718973

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylcarbamoylamino)ethyl]-4-(cyclopentanecarbonylamino)benzamide?
The IUPAC name of N-[2-(tert-butylcarbamoylamino)ethyl]-4-(cyclopentanecarbonylamino)benzamide (CID 121063312) is N-[2-(tert-butylcarbamoylamino)ethyl]-4-(cyclopentanecarbonylamino)benzamide.
What is the SMILES notation for N-[2-(tert-butylcarbamoylamino)ethyl]-4-(cyclopentanecarbonylamino)benzamide?
The canonical SMILES for N-[2-(tert-butylcarbamoylamino)ethyl]-4-(cyclopentanecarbonylamino)benzamide is CC(C)(C)NC(=O)NCCNC(=O)c1ccc(NC(=O)C2CCCC2)cc1.
What is the InChIKey of N-[2-(tert-butylcarbamoylamino)ethyl]-4-(cyclopentanecarbonylamino)benzamide?
The InChIKey is ZNJZFEFDZPPRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-20(2,3)24-19(27)22-13-12-21-17(25)15-8-10-16(11-9-15)23-18(26)14-6-4-5-7-14/h8-11,14H,4-7,12-13H2,1-3H3,(H,21,25)(H,23,26)(H2,22,24,27).
What are the key properties of N-[2-(tert-butylcarbamoylamino)ethyl]-4-(cyclopentanecarbonylamino)benzamide?
N-[2-(tert-butylcarbamoylamino)ethyl]-4-(cyclopentanecarbonylamino)benzamide has a molecular weight of 374.49 g/mol, XLogP of 2.64, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylcarbamoylamino)ethyl]-4-(cyclopentanecarbonylamino)benzamide is sourced from PubChem (CID 121063312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).