3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]benzamide

C15H21N3O2 — CID 82767506

IUPAC3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]benzamide
SMILESCC1(C(=O)NCc2cccc(C(N)=O)c2)CCCC1N
InChIInChI=1S/C15H21N3O2/c1-15(7-3-6-12(15)16)14(20)18-9-10-4-2-5-11(8-10)13(17)19/h2,4-5,8,12H,3,6-7,9,16H2,1H3,(H2,17,19)(H,18,20)
InChIKeyKICASMAHQTYZKB-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.92
Rot. Bonds4

About 3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]benzamide

3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]benzamide (PubChem CID 82767506) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]benzamide
PubChem CID82767506
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]benzamide
SMILESCC1(C(=O)NCc2cccc(C(N)=O)c2)CCCC1N
InChIInChI=1S/C15H21N3O2/c1-15(7-3-6-12(15)16)14(20)18-9-10-4-2-5-11(8-10)13(17)19/h2,4-5,8,12H,3,6-7,9,16H2,1H3,(H2,17,19)(H,18,20)
InChIKeyKICASMAHQTYZKB-UHFFFAOYSA-N
XLogP0.92
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3-fluorophenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 82763607
2-amino-N-[(4-bromophenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 82763604
2-amino-1-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
CID 82764201
3-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]benzamide
CID 115453144
(2-amino-1-methylcyclopentyl)-(3-propylphenyl)methanone
CID 116607279
N-[(3-carbamoylphenyl)methyl]-3-methyloxolane-3-carboxamide
CID 154739738
N-[(3-carbamoylphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119719922
3-[[(1-methylcyclopropyl)amino]methyl]benzamide
CID 115635058
3-[(carbamoylamino)methyl]benzamide
CID 166184789
N-[(3-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxamide
CID 63135121
2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 103292391
2-amino-1-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 114125275

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]benzamide?
The IUPAC name of 3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]benzamide (CID 82767506) is 3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]benzamide.
What is the SMILES notation for 3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]benzamide?
The canonical SMILES for 3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]benzamide is CC1(C(=O)NCc2cccc(C(N)=O)c2)CCCC1N.
What is the InChIKey of 3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]benzamide?
The InChIKey is KICASMAHQTYZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(7-3-6-12(15)16)14(20)18-9-10-4-2-5-11(8-10)13(17)19/h2,4-5,8,12H,3,6-7,9,16H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of 3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]benzamide?
3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]benzamide has a molecular weight of 275.35 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]benzamide is sourced from PubChem (CID 82767506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).