N-pentyl-2-(2-phenoxyethylamino)propanamide

C16H26N2O2 — CID 60720089

IUPACN-pentyl-2-(2-phenoxyethylamino)propanamide
SMILESCCCCCNC(=O)C(C)NCCOc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-3-4-8-11-18-16(19)14(2)17-12-13-20-15-9-6-5-7-10-15/h5-7,9-10,14,17H,3-4,8,11-13H2,1-2H3,(H,18,19)
InChIKeyOGAQOZMNNPWOQB-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.35
Rot. Bonds10

About N-pentyl-2-(2-phenoxyethylamino)propanamide

N-pentyl-2-(2-phenoxyethylamino)propanamide (PubChem CID 60720089) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-pentyl-2-(2-phenoxyethylamino)propanamide.

Molecular Properties

Compound NameN-pentyl-2-(2-phenoxyethylamino)propanamide
PubChem CID60720089
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-pentyl-2-(2-phenoxyethylamino)propanamide
SMILESCCCCCNC(=O)C(C)NCCOc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-3-4-8-11-18-16(19)14(2)17-12-13-20-15-9-6-5-7-10-15/h5-7,9-10,14,17H,3-4,8,11-13H2,1-2H3,(H,18,19)
InChIKeyOGAQOZMNNPWOQB-UHFFFAOYSA-N
XLogP2.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.35
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

2-(3-phenoxypropylamino)-N-propylpropanamide
CID 60695598
(2R)-N-cyclopentyl-2-(2-phenoxyethylamino)propanamide
CID 94613245
2-(3-methoxypropylamino)-N-pentylpropanamide
CID 43131874
N-(2-phenoxyethyl)octan-2-amine
CID 60689825
2-[[1-oxo-1-(pentylamino)propan-2-yl]amino]ethyl carbamate
CID 83210164
N-(3-phenoxypropyl)-2-(propan-2-ylamino)acetamide
CID 62378949
2-[2-(2-methoxyphenoxy)ethylamino]-N-propylpropanamide
CID 60676693
N-(2-phenoxyethyl)-2-sulfanylpropanamide
CID 107026809
2-bromo-N-(2-phenoxyethyl)propanamide
CID 82108617
2-(octylamino)-N-phenylpropanamide
CID 78914372
2-[(2-chlorophenyl)methylamino]-N-pentylpropanamide
CID 43112541
N-butyl-2-(4-propoxyanilino)propanamide
CID 62329025

Frequently Asked Questions

What is the IUPAC name of N-pentyl-2-(2-phenoxyethylamino)propanamide?
The IUPAC name of N-pentyl-2-(2-phenoxyethylamino)propanamide (CID 60720089) is N-pentyl-2-(2-phenoxyethylamino)propanamide.
What is the SMILES notation for N-pentyl-2-(2-phenoxyethylamino)propanamide?
The canonical SMILES for N-pentyl-2-(2-phenoxyethylamino)propanamide is CCCCCNC(=O)C(C)NCCOc1ccccc1.
What is the InChIKey of N-pentyl-2-(2-phenoxyethylamino)propanamide?
The InChIKey is OGAQOZMNNPWOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-4-8-11-18-16(19)14(2)17-12-13-20-15-9-6-5-7-10-15/h5-7,9-10,14,17H,3-4,8,11-13H2,1-2H3,(H,18,19).
What are the key properties of N-pentyl-2-(2-phenoxyethylamino)propanamide?
N-pentyl-2-(2-phenoxyethylamino)propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.35, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2-(2-phenoxyethylamino)propanamide is sourced from PubChem (CID 60720089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).