N-[4-(aminomethyl)phenyl]-3-(2-butoxyethoxy)propanamide

C16H26N2O3 — CID 28996025

IUPACN-[4-(aminomethyl)phenyl]-3-(2-butoxyethoxy)propanamide
SMILESCCCCOCCOCCC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C16H26N2O3/c1-2-3-9-20-11-12-21-10-8-16(19)18-15-6-4-14(13-17)5-7-15/h4-7H,2-3,8-13,17H2,1H3,(H,18,19)
InChIKeyPQVGLMWACLIOOP-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.31
Rot. Bonds11

About N-[4-(aminomethyl)phenyl]-3-(2-butoxyethoxy)propanamide

N-[4-(aminomethyl)phenyl]-3-(2-butoxyethoxy)propanamide (PubChem CID 28996025) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-3-(2-butoxyethoxy)propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-3-(2-butoxyethoxy)propanamide
PubChem CID28996025
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-[4-(aminomethyl)phenyl]-3-(2-butoxyethoxy)propanamide
SMILESCCCCOCCOCCC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C16H26N2O3/c1-2-3-9-20-11-12-21-10-8-16(19)18-15-6-4-14(13-17)5-7-15/h4-7H,2-3,8-13,17H2,1H3,(H,18,19)
InChIKeyPQVGLMWACLIOOP-UHFFFAOYSA-N
XLogP2.31
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.31
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

2-[[4-[[4-[3-(2-butoxyethoxy)propanoylamino]phenyl]methyl]phenyl]carbamoyloxymethyl]prop-2-enyl N-[4-[[4-[3-(2-butoxyethoxy)propanoylamino]phenyl]methyl]phenyl]carbamate
CID 18723709
N-[4-(aminomethyl)phenyl]-2-pentoxyacetamide
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N-[4-(aminomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
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N-[4-(aminomethyl)phenyl]-3-(2-cyclobutylethoxy)propanamide
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N-[3-(aminomethyl)phenyl]-4-(2-propoxyethoxy)butanamide
CID 63684342
N-[4-(aminomethyl)phenyl]-3-butylsulfonylpropanamide
CID 64696802
N-(4-bromophenyl)-3-propoxypropanamide
CID 55208743
N-(3-aminophenyl)-3-hexoxypropanamide
CID 28995658
N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide
CID 143641353
N-[4-(3-chloropropoxy)phenyl]-3-propoxypropanamide
CID 139895559
N-[4-(3-hydroxypropoxy)phenyl]-3-propoxypropanamide
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N-[4-(aminomethyl)phenyl]-3-cyclopentyloxypropanamide
CID 16788868

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-3-(2-butoxyethoxy)propanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-3-(2-butoxyethoxy)propanamide (CID 28996025) is N-[4-(aminomethyl)phenyl]-3-(2-butoxyethoxy)propanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-3-(2-butoxyethoxy)propanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-3-(2-butoxyethoxy)propanamide is CCCCOCCOCCC(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-3-(2-butoxyethoxy)propanamide?
The InChIKey is PQVGLMWACLIOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-2-3-9-20-11-12-21-10-8-16(19)18-15-6-4-14(13-17)5-7-15/h4-7H,2-3,8-13,17H2,1H3,(H,18,19).
What are the key properties of N-[4-(aminomethyl)phenyl]-3-(2-butoxyethoxy)propanamide?
N-[4-(aminomethyl)phenyl]-3-(2-butoxyethoxy)propanamide has a molecular weight of 294.39 g/mol, XLogP of 2.31, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-3-(2-butoxyethoxy)propanamide is sourced from PubChem (CID 28996025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).