2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C19H27N3O3 — CID 41084647

IUPAC2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESO=C(CNc1ccccc1C(=O)NC[C@H]1CCCO1)NC1CCCC1
InChIInChI=1S/C19H27N3O3/c23-18(22-14-6-1-2-7-14)13-20-17-10-4-3-9-16(17)19(24)21-12-15-8-5-11-25-15/h3-4,9-10,14-15,20H,1-2,5-8,11-13H2,(H,21,24)(H,22,23)/t15-/m1/s1
InChIKeyLUIUQNRMESLXEN-OAHLLOKOSA-N
MW345.44 g/mol
LogP2.07
Rot. Bonds7

About 2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 41084647) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID41084647
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESO=C(CNc1ccccc1C(=O)NC[C@H]1CCCO1)NC1CCCC1
InChIInChI=1S/C19H27N3O3/c23-18(22-14-6-1-2-7-14)13-20-17-10-4-3-9-16(17)19(24)21-12-15-8-5-11-25-15/h3-4,9-10,14-15,20H,1-2,5-8,11-13H2,(H,21,24)(H,22,23)/t15-/m1/s1
InChIKeyLUIUQNRMESLXEN-OAHLLOKOSA-N
XLogP2.07
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]benzamide
CID 25383699
N-[[(2R)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]benzamide
CID 25383704
N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-(2-phenoxyanilino)ethyl]amino]benzamide
CID 41210911
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 29238764
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide
CID 9329082
2-(3-cyclohexylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 17321079
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide
CID 2981527
2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690
2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4935365
2-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54812102

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 41084647) is 2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is O=C(CNc1ccccc1C(=O)NC[C@H]1CCCO1)NC1CCCC1.
What is the InChIKey of 2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is LUIUQNRMESLXEN-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-18(22-14-6-1-2-7-14)13-20-17-10-4-3-9-16(17)19(24)21-12-15-8-5-11-25-15/h3-4,9-10,14-15,20H,1-2,5-8,11-13H2,(H,21,24)(H,22,23)/t15-/m1/s1.
What are the key properties of 2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 345.44 g/mol, XLogP of 2.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 41084647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).