N-[4-(3-hydroxypropoxy)phenyl]-3-propoxypropanamide

C15H23NO4 — CID 139895573

IUPACN-[4-(3-hydroxypropoxy)phenyl]-3-propoxypropanamide
SMILESCCCOCCC(=O)Nc1ccc(OCCCO)cc1
InChIInChI=1S/C15H23NO4/c1-2-10-19-12-8-15(18)16-13-4-6-14(7-5-13)20-11-3-9-17/h4-7,17H,2-3,8-12H2,1H3,(H,16,18)
InChIKeySAOVQGKIBKAGDZ-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.20
Rot. Bonds10

About N-[4-(3-hydroxypropoxy)phenyl]-3-propoxypropanamide

N-[4-(3-hydroxypropoxy)phenyl]-3-propoxypropanamide (PubChem CID 139895573) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-[4-(3-hydroxypropoxy)phenyl]-3-propoxypropanamide.

Molecular Properties

Compound NameN-[4-(3-hydroxypropoxy)phenyl]-3-propoxypropanamide
PubChem CID139895573
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN-[4-(3-hydroxypropoxy)phenyl]-3-propoxypropanamide
SMILESCCCOCCC(=O)Nc1ccc(OCCCO)cc1
InChIInChI=1S/C15H23NO4/c1-2-10-19-12-8-15(18)16-13-4-6-14(7-5-13)20-11-3-9-17/h4-7,17H,2-3,8-12H2,1H3,(H,16,18)
InChIKeySAOVQGKIBKAGDZ-UHFFFAOYSA-N
XLogP2.20
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-chloropropoxy)phenyl]-3-propoxypropanamide
CID 139895559
N-[4-(2-chloroethoxy)phenyl]-3-propoxypropanamide
CID 139895595
N-(4-butoxyphenyl)butanamide
CID 4939679
N-(4-bromophenyl)-3-propoxypropanamide
CID 55208743
4-butoxy-N-[4-(3-iodopropoxy)phenyl]butanamide
CID 139895483
3-chloro-N-(4-propoxyphenyl)propanamide
CID 62329515
N-(4-decoxyphenyl)butanamide
CID 143303175
N-(4-cyanophenyl)-3-(2-propoxyethoxy)propanamide
CID 63685828
5-(4-butoxyanilino)-5-oxopentanoic acid
CID 4939768
N-[4-(2-hydroxyethoxy)phenyl]-4-methoxybutanamide
CID 139895558
4-(4-ethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 19173503
N-[4-[[2-(4-butoxyanilino)acetyl]amino]phenyl]butanamide
CID 54820523

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxypropoxy)phenyl]-3-propoxypropanamide?
The IUPAC name of N-[4-(3-hydroxypropoxy)phenyl]-3-propoxypropanamide (CID 139895573) is N-[4-(3-hydroxypropoxy)phenyl]-3-propoxypropanamide.
What is the SMILES notation for N-[4-(3-hydroxypropoxy)phenyl]-3-propoxypropanamide?
The canonical SMILES for N-[4-(3-hydroxypropoxy)phenyl]-3-propoxypropanamide is CCCOCCC(=O)Nc1ccc(OCCCO)cc1.
What is the InChIKey of N-[4-(3-hydroxypropoxy)phenyl]-3-propoxypropanamide?
The InChIKey is SAOVQGKIBKAGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-2-10-19-12-8-15(18)16-13-4-6-14(7-5-13)20-11-3-9-17/h4-7,17H,2-3,8-12H2,1H3,(H,16,18).
What are the key properties of N-[4-(3-hydroxypropoxy)phenyl]-3-propoxypropanamide?
N-[4-(3-hydroxypropoxy)phenyl]-3-propoxypropanamide has a molecular weight of 281.35 g/mol, XLogP of 2.20, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxypropoxy)phenyl]-3-propoxypropanamide is sourced from PubChem (CID 139895573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).