4-[[4-(cyclohexylmethoxy)benzoyl]-methylamino]butanoic acid

C19H27NO4 — CID 119172965

IUPAC4-[[4-(cyclohexylmethoxy)benzoyl]-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)c1ccc(OCC2CCCCC2)cc1
InChIInChI=1S/C19H27NO4/c1-20(13-5-8-18(21)22)19(23)16-9-11-17(12-10-16)24-14-15-6-3-2-4-7-15/h9-12,15H,2-8,13-14H2,1H3,(H,21,22)
InChIKeyPILPZUUTRWRORW-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.58
Rot. Bonds8

About 4-[[4-(cyclohexylmethoxy)benzoyl]-methylamino]butanoic acid

4-[[4-(cyclohexylmethoxy)benzoyl]-methylamino]butanoic acid (PubChem CID 119172965) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-[[4-(cyclohexylmethoxy)benzoyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[4-(cyclohexylmethoxy)benzoyl]-methylamino]butanoic acid
PubChem CID119172965
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name4-[[4-(cyclohexylmethoxy)benzoyl]-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)c1ccc(OCC2CCCCC2)cc1
InChIInChI=1S/C19H27NO4/c1-20(13-5-8-18(21)22)19(23)16-9-11-17(12-10-16)24-14-15-6-3-2-4-7-15/h9-12,15H,2-8,13-14H2,1H3,(H,21,22)
InChIKeyPILPZUUTRWRORW-UHFFFAOYSA-N
XLogP3.58
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropylmethoxy)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 136526082
4-[(4-acetylbenzoyl)-methylamino]butanoic acid
CID 119172709
N-(1-aminopropan-2-yl)-4-(cyclohexylmethoxy)-N-methylbenzamide;hydrochloride
CID 119584659
3-[4-[(3,3-dimethylcyclodecyl)methoxy]phenyl]propanoic acid
CID 143797232
4-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-methylamino]butanoic acid
CID 119173041
3-[4-(cyclopropylmethoxy)phenyl]propanoic acid
CID 25019180
[4-(cyclopentylmethoxy)phenyl]-cyclopropylmethanone
CID 6482543
3-[[4-[2-cyclohexyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]benzoyl]-methylamino]propanoic acid
CID 11512346
1-[4-(cyclobutylmethoxy)phenyl]propan-1-one
CID 65459422
N-[(2R)-5-[(cyclopentylmethylamino)methyl]-2,3-dihydro-1H-inden-2-yl]-4-(cyclopropylmethoxy)-N-methylbenzamide
CID 58062327
4-[(3-chloro-4-iodobenzoyl)-methylamino]butanoic acid
CID 103803012
4-[(3-methylcyclohexyl)methoxy]benzoic acid
CID 114197046

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(cyclohexylmethoxy)benzoyl]-methylamino]butanoic acid?
The IUPAC name of 4-[[4-(cyclohexylmethoxy)benzoyl]-methylamino]butanoic acid (CID 119172965) is 4-[[4-(cyclohexylmethoxy)benzoyl]-methylamino]butanoic acid.
What is the SMILES notation for 4-[[4-(cyclohexylmethoxy)benzoyl]-methylamino]butanoic acid?
The canonical SMILES for 4-[[4-(cyclohexylmethoxy)benzoyl]-methylamino]butanoic acid is CN(CCCC(=O)O)C(=O)c1ccc(OCC2CCCCC2)cc1.
What is the InChIKey of 4-[[4-(cyclohexylmethoxy)benzoyl]-methylamino]butanoic acid?
The InChIKey is PILPZUUTRWRORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-20(13-5-8-18(21)22)19(23)16-9-11-17(12-10-16)24-14-15-6-3-2-4-7-15/h9-12,15H,2-8,13-14H2,1H3,(H,21,22).
What are the key properties of 4-[[4-(cyclohexylmethoxy)benzoyl]-methylamino]butanoic acid?
4-[[4-(cyclohexylmethoxy)benzoyl]-methylamino]butanoic acid has a molecular weight of 333.43 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(cyclohexylmethoxy)benzoyl]-methylamino]butanoic acid is sourced from PubChem (CID 119172965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).