3-[(3-cyclopentyloxy-2-hydroxypropyl)amino]benzamide

C15H22N2O3 — CID 107811167

IUPAC3-[(3-cyclopentyloxy-2-hydroxypropyl)amino]benzamide
SMILESNC(=O)c1cccc(NCC(O)COC2CCCC2)c1
InChIInChI=1S/C15H22N2O3/c16-15(19)11-4-3-5-12(8-11)17-9-13(18)10-20-14-6-1-2-7-14/h3-5,8,13-14,17-18H,1-2,6-7,9-10H2,(H2,16,19)
InChIKeyBAPTULLEHFTSQN-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.52
Rot. Bonds7

About 3-[(3-cyclopentyloxy-2-hydroxypropyl)amino]benzamide

3-[(3-cyclopentyloxy-2-hydroxypropyl)amino]benzamide (PubChem CID 107811167) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-[(3-cyclopentyloxy-2-hydroxypropyl)amino]benzamide.

Molecular Properties

Compound Name3-[(3-cyclopentyloxy-2-hydroxypropyl)amino]benzamide
PubChem CID107811167
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-[(3-cyclopentyloxy-2-hydroxypropyl)amino]benzamide
SMILESNC(=O)c1cccc(NCC(O)COC2CCCC2)c1
InChIInChI=1S/C15H22N2O3/c16-15(19)11-4-3-5-12(8-11)17-9-13(18)10-20-14-6-1-2-7-14/h3-5,8,13-14,17-18H,1-2,6-7,9-10H2,(H2,16,19)
InChIKeyBAPTULLEHFTSQN-UHFFFAOYSA-N
XLogP1.52
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyloxy-3-(3-methylanilino)propan-2-ol
CID 60902650
1-cyclopentyloxy-3-(3-fluoroanilino)propan-2-ol
CID 60897752
1-cyclohexyloxy-3-(3-iodoanilino)propan-2-ol
CID 60899841
3-[(2-hydroxy-3-propan-2-yloxypropyl)amino]benzamide
CID 107811092
1-cyclopentyloxy-3-(2,3-dihydro-1H-inden-5-ylamino)propan-2-ol
CID 60898492
1-(1,3-benzodioxol-5-ylamino)-3-cyclopentyloxypropan-2-ol
CID 60900166
1-(4-chloro-3-fluoroanilino)-3-cyclohexyloxypropan-2-ol
CID 61466824
3-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]benzamide
CID 107811165
1-cyclopentyloxy-3-[4-(difluoromethoxy)anilino]propan-2-ol
CID 60900625
1-(3-chloroanilino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
CID 60896997
3-(2,4-dimethylpentylamino)benzamide
CID 114200196
3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]benzonitrile
CID 60896645

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopentyloxy-2-hydroxypropyl)amino]benzamide?
The IUPAC name of 3-[(3-cyclopentyloxy-2-hydroxypropyl)amino]benzamide (CID 107811167) is 3-[(3-cyclopentyloxy-2-hydroxypropyl)amino]benzamide.
What is the SMILES notation for 3-[(3-cyclopentyloxy-2-hydroxypropyl)amino]benzamide?
The canonical SMILES for 3-[(3-cyclopentyloxy-2-hydroxypropyl)amino]benzamide is NC(=O)c1cccc(NCC(O)COC2CCCC2)c1.
What is the InChIKey of 3-[(3-cyclopentyloxy-2-hydroxypropyl)amino]benzamide?
The InChIKey is BAPTULLEHFTSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c16-15(19)11-4-3-5-12(8-11)17-9-13(18)10-20-14-6-1-2-7-14/h3-5,8,13-14,17-18H,1-2,6-7,9-10H2,(H2,16,19).
What are the key properties of 3-[(3-cyclopentyloxy-2-hydroxypropyl)amino]benzamide?
3-[(3-cyclopentyloxy-2-hydroxypropyl)amino]benzamide has a molecular weight of 278.35 g/mol, XLogP of 1.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopentyloxy-2-hydroxypropyl)amino]benzamide is sourced from PubChem (CID 107811167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).