N-[4-(aminomethyl)phenyl]-3-propoxy-N-propylpropanamide

C16H26N2O2 — CID 62688407

IUPACN-[4-(aminomethyl)phenyl]-3-propoxy-N-propylpropanamide
SMILESCCCOCCC(=O)N(CCC)c1ccc(CN)cc1
InChIInChI=1S/C16H26N2O2/c1-3-10-18(16(19)9-12-20-11-4-2)15-7-5-14(13-17)6-8-15/h5-8H,3-4,9-13,17H2,1-2H3
InChIKeyRMQNGYZNHPOCBG-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.70
Rot. Bonds9

About N-[4-(aminomethyl)phenyl]-3-propoxy-N-propylpropanamide

N-[4-(aminomethyl)phenyl]-3-propoxy-N-propylpropanamide (PubChem CID 62688407) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-3-propoxy-N-propylpropanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-3-propoxy-N-propylpropanamide
PubChem CID62688407
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[4-(aminomethyl)phenyl]-3-propoxy-N-propylpropanamide
SMILESCCCOCCC(=O)N(CCC)c1ccc(CN)cc1
InChIInChI=1S/C16H26N2O2/c1-3-10-18(16(19)9-12-20-11-4-2)15-7-5-14(13-17)6-8-15/h5-8H,3-4,9-13,17H2,1-2H3
InChIKeyRMQNGYZNHPOCBG-UHFFFAOYSA-N
XLogP2.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(aminomethyl)phenyl]-3,3-diethyl-1-propylurea
CID 79154788
tert-butyl N-[4-(aminomethyl)phenyl]-N-propylcarbamate
CID 43275716
4-[2-hydroxyethyl(3-propoxypropanoyl)amino]benzoic acid
CID 62715793
N-(3-amino-3-hydroxyiminopropyl)-N-phenyl-3-propoxypropanamide
CID 76948308
N-[4-(aminomethyl)phenyl]-N-ethylhexanamide
CID 43275627
N-[4-(aminomethyl)phenyl]-N,2-dipropylpentanamide
CID 82984391
N-[4-(aminomethyl)phenyl]-N-propyl-1H-pyrazole-4-carboxamide
CID 63085420
N-[4-(aminomethyl)phenyl]-4-hydroxy-N-propylbenzamide
CID 43275719
1-[4-(aminomethyl)phenyl]-3-tert-butyl-1-propylurea
CID 43275802
N-[4-(aminomethyl)phenyl]-N-propylcyclobutanecarboxamide
CID 43275737
4-(aminomethyl)-N-(2-ethoxyethyl)-N-propylaniline
CID 43457117
N-[4-(aminomethyl)phenyl]-2-ethoxy-N-methylacetamide
CID 43275430

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-3-propoxy-N-propylpropanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-3-propoxy-N-propylpropanamide (CID 62688407) is N-[4-(aminomethyl)phenyl]-3-propoxy-N-propylpropanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-3-propoxy-N-propylpropanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-3-propoxy-N-propylpropanamide is CCCOCCC(=O)N(CCC)c1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-3-propoxy-N-propylpropanamide?
The InChIKey is RMQNGYZNHPOCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-10-18(16(19)9-12-20-11-4-2)15-7-5-14(13-17)6-8-15/h5-8H,3-4,9-13,17H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-3-propoxy-N-propylpropanamide?
N-[4-(aminomethyl)phenyl]-3-propoxy-N-propylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-3-propoxy-N-propylpropanamide is sourced from PubChem (CID 62688407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).