3-propoxy-N-[4-[1-(propylamino)ethyl]phenyl]propanamide

C17H28N2O2 — CID 62715274

IUPAC3-propoxy-N-[4-[1-(propylamino)ethyl]phenyl]propanamide
SMILESCCCNC(C)c1ccc(NC(=O)CCOCCC)cc1
InChIInChI=1S/C17H28N2O2/c1-4-11-18-14(3)15-6-8-16(9-7-15)19-17(20)10-13-21-12-5-2/h6-9,14,18H,4-5,10-13H2,1-3H3,(H,19,20)
InChIKeyRFRDAUYURMASII-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.50
Rot. Bonds10

About 3-propoxy-N-[4-[1-(propylamino)ethyl]phenyl]propanamide

3-propoxy-N-[4-[1-(propylamino)ethyl]phenyl]propanamide (PubChem CID 62715274) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-propoxy-N-[4-[1-(propylamino)ethyl]phenyl]propanamide.

Molecular Properties

Compound Name3-propoxy-N-[4-[1-(propylamino)ethyl]phenyl]propanamide
PubChem CID62715274
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-propoxy-N-[4-[1-(propylamino)ethyl]phenyl]propanamide
SMILESCCCNC(C)c1ccc(NC(=O)CCOCCC)cc1
InChIInChI=1S/C17H28N2O2/c1-4-11-18-14(3)15-6-8-16(9-7-15)19-17(20)10-13-21-12-5-2/h6-9,14,18H,4-5,10-13H2,1-3H3,(H,19,20)
InChIKeyRFRDAUYURMASII-UHFFFAOYSA-N
XLogP3.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-3-propoxypropanamide
CID 55208743
ethyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate
CID 43508328
1-propan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea
CID 43508325
2-methylpropyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate
CID 43508327
1-tert-butyl-3-[4-[1-(propylamino)ethyl]phenyl]urea
CID 43508324
2,2-dimethyl-N-[4-[1-(propylamino)ethyl]phenyl]butanamide
CID 62678760
N-(4-cyanophenyl)-3-(2-propoxyethoxy)propanamide
CID 63685828
1-butan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea
CID 61341260
methyl 4-[(1S)-1-(propylamino)ethyl]benzoate
CID 142387004
N-[3-(1-hydroxyethyl)phenyl]-3-propoxypropanamide
CID 55104060
N-[4-(3-hydroxypropoxy)phenyl]-3-propoxypropanamide
CID 139895573
N-[4-(3-chloropropoxy)phenyl]-3-propoxypropanamide
CID 139895559

Frequently Asked Questions

What is the IUPAC name of 3-propoxy-N-[4-[1-(propylamino)ethyl]phenyl]propanamide?
The IUPAC name of 3-propoxy-N-[4-[1-(propylamino)ethyl]phenyl]propanamide (CID 62715274) is 3-propoxy-N-[4-[1-(propylamino)ethyl]phenyl]propanamide.
What is the SMILES notation for 3-propoxy-N-[4-[1-(propylamino)ethyl]phenyl]propanamide?
The canonical SMILES for 3-propoxy-N-[4-[1-(propylamino)ethyl]phenyl]propanamide is CCCNC(C)c1ccc(NC(=O)CCOCCC)cc1.
What is the InChIKey of 3-propoxy-N-[4-[1-(propylamino)ethyl]phenyl]propanamide?
The InChIKey is RFRDAUYURMASII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-11-18-14(3)15-6-8-16(9-7-15)19-17(20)10-13-21-12-5-2/h6-9,14,18H,4-5,10-13H2,1-3H3,(H,19,20).
What are the key properties of 3-propoxy-N-[4-[1-(propylamino)ethyl]phenyl]propanamide?
3-propoxy-N-[4-[1-(propylamino)ethyl]phenyl]propanamide has a molecular weight of 292.42 g/mol, XLogP of 3.50, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-N-[4-[1-(propylamino)ethyl]phenyl]propanamide is sourced from PubChem (CID 62715274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).