4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-N-pentylbenzamide

C18H30N2O3 — CID 14853054

IUPAC4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(OCC(O)CNC(C)C)cc1
InChIInChI=1S/C18H30N2O3/c1-4-5-6-11-19-18(22)15-7-9-17(10-8-15)23-13-16(21)12-20-14(2)3/h7-10,14,16,20-21H,4-6,11-13H2,1-3H3,(H,19,22)
InChIKeyZBRQFDQJWXQMKE-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.34
Rot. Bonds11

About 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-N-pentylbenzamide

4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-N-pentylbenzamide (PubChem CID 14853054) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-N-pentylbenzamide.

Molecular Properties

Compound Name4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-N-pentylbenzamide
PubChem CID14853054
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(OCC(O)CNC(C)C)cc1
InChIInChI=1S/C18H30N2O3/c1-4-5-6-11-19-18(22)15-7-9-17(10-8-15)23-13-16(21)12-20-14(2)3/h7-10,14,16,20-21H,4-6,11-13H2,1-3H3,(H,19,22)
InChIKeyZBRQFDQJWXQMKE-UHFFFAOYSA-N
XLogP2.34
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-hexoxy-N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]benzamide
CID 13388918
N-hexyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-prop-2-enylbenzamide
CID 14853059
N-butyl-4-[(3R)-3-[(2-hydroxy-3-phenoxypropyl)amino]butyl]benzamide
CID 67905497
4-butoxy-N-hexadecylbenzamide
CID 4936106
N-decyl-4-ethoxybenzamide
CID 4123784
4-(2-methylpropoxy)-N-[8-[[4-(2-methylpropoxy)benzoyl]amino]octyl]benzamide
CID 17233376
1-(4-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 10587787
4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide
CID 4938333
1-[4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-3-propylurea
CID 129396080
N-heptyl-4-propan-2-yloxybenzamide
CID 4951873
1-[4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-2-methoxyethanone
CID 125358144
(4-chlorophenyl)-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methanone
CID 70524382

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-N-pentylbenzamide?
The IUPAC name of 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-N-pentylbenzamide (CID 14853054) is 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-N-pentylbenzamide.
What is the SMILES notation for 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-N-pentylbenzamide?
The canonical SMILES for 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-N-pentylbenzamide is CCCCCNC(=O)c1ccc(OCC(O)CNC(C)C)cc1.
What is the InChIKey of 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-N-pentylbenzamide?
The InChIKey is ZBRQFDQJWXQMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-4-5-6-11-19-18(22)15-7-9-17(10-8-15)23-13-16(21)12-20-14(2)3/h7-10,14,16,20-21H,4-6,11-13H2,1-3H3,(H,19,22).
What are the key properties of 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-N-pentylbenzamide?
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-N-pentylbenzamide has a molecular weight of 322.45 g/mol, XLogP of 2.34, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-N-pentylbenzamide is sourced from PubChem (CID 14853054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).