4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopentylbenzamide

C19H27N3O3 — CID 120786530

IUPAC4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopentylbenzamide
SMILESNC(C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)C1CCOCC1
InChIInChI=1S/C19H27N3O3/c20-17(13-9-11-25-12-10-13)19(24)22-16-7-5-14(6-8-16)18(23)21-15-3-1-2-4-15/h5-8,13,15,17H,1-4,9-12,20H2,(H,21,23)(H,22,24)
InChIKeyUFTZOUOUQYQNPK-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.05
Rot. Bonds5

About 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopentylbenzamide

4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopentylbenzamide (PubChem CID 120786530) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopentylbenzamide.

Molecular Properties

Compound Name4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopentylbenzamide
PubChem CID120786530
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopentylbenzamide
SMILESNC(C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)C1CCOCC1
InChIInChI=1S/C19H27N3O3/c20-17(13-9-11-25-12-10-13)19(24)22-16-7-5-14(6-8-16)18(23)21-15-3-1-2-4-15/h5-8,13,15,17H,1-4,9-12,20H2,(H,21,23)(H,22,24)
InChIKeyUFTZOUOUQYQNPK-UHFFFAOYSA-N
XLogP2.05
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-4-chlorobenzamide;hydrochloride
CID 120789553
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylbenzamide;hydrochloride
CID 120788869
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide;hydrochloride
CID 120782841
3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 120786526
4-(2-aminopentanoylamino)-N-(oxan-4-yl)benzamide
CID 119338738
methyl 3-[[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]benzoyl]amino]propanoate
CID 120785396
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexylbenzamide
CID 119747199
2-amino-N-cyclooctyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783011
N-cyclooctyl-4-(2-methylpropanoylamino)benzamide
CID 3901295
2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 120785656
4-[(2-amino-3-methylpentanoyl)amino]-N-(oxan-4-yl)benzamide;hydrochloride
CID 119810201
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]benzamide
CID 120786924

Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopentylbenzamide?
The IUPAC name of 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopentylbenzamide (CID 120786530) is 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopentylbenzamide.
What is the SMILES notation for 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopentylbenzamide?
The canonical SMILES for 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopentylbenzamide is NC(C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)C1CCOCC1.
What is the InChIKey of 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopentylbenzamide?
The InChIKey is UFTZOUOUQYQNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c20-17(13-9-11-25-12-10-13)19(24)22-16-7-5-14(6-8-16)18(23)21-15-3-1-2-4-15/h5-8,13,15,17H,1-4,9-12,20H2,(H,21,23)(H,22,24).
What are the key properties of 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopentylbenzamide?
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopentylbenzamide has a molecular weight of 345.44 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopentylbenzamide is sourced from PubChem (CID 120786530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).