4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-tert-butylbenzamide

C18H27N3O2 — CID 119703087

IUPAC4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-tert-butylbenzamide
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)C2(CN)CCCC2)cc1
InChIInChI=1S/C18H27N3O2/c1-17(2,3)21-15(22)13-6-8-14(9-7-13)20-16(23)18(12-19)10-4-5-11-18/h6-9H,4-5,10-12,19H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyUWNQALDHNAWTRC-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.67
Rot. Bonds4

About 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-tert-butylbenzamide

4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-tert-butylbenzamide (PubChem CID 119703087) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-tert-butylbenzamide.

Molecular Properties

Compound Name4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-tert-butylbenzamide
PubChem CID119703087
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-tert-butylbenzamide
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)C2(CN)CCCC2)cc1
InChIInChI=1S/C18H27N3O2/c1-17(2,3)21-15(22)13-6-8-14(9-7-13)20-16(23)18(12-19)10-4-5-11-18/h6-9H,4-5,10-12,19H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyUWNQALDHNAWTRC-UHFFFAOYSA-N
XLogP2.67
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-tert-butylbenzamide?
The IUPAC name of 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-tert-butylbenzamide (CID 119703087) is 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-tert-butylbenzamide.
What is the SMILES notation for 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-tert-butylbenzamide?
The canonical SMILES for 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-tert-butylbenzamide is CC(C)(C)NC(=O)c1ccc(NC(=O)C2(CN)CCCC2)cc1.
What is the InChIKey of 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-tert-butylbenzamide?
The InChIKey is UWNQALDHNAWTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-17(2,3)21-15(22)13-6-8-14(9-7-13)20-16(23)18(12-19)10-4-5-11-18/h6-9H,4-5,10-12,19H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-tert-butylbenzamide?
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-tert-butylbenzamide has a molecular weight of 317.43 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-tert-butylbenzamide is sourced from PubChem (CID 119703087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).