N-pent-1-yn-3-yl-2-phenyloxane-3-carboxamide

C17H21NO2 — CID 103578898

IUPACN-pent-1-yn-3-yl-2-phenyloxane-3-carboxamide
SMILESC#CC(CC)NC(=O)C1CCCOC1c1ccccc1
InChIInChI=1S/C17H21NO2/c1-3-14(4-2)18-17(19)15-11-8-12-20-16(15)13-9-6-5-7-10-13/h1,5-7,9-10,14-16H,4,8,11-12H2,2H3,(H,18,19)
InChIKeySLYUZALMILVDJE-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.68
Rot. Bonds4

About N-pent-1-yn-3-yl-2-phenyloxane-3-carboxamide

N-pent-1-yn-3-yl-2-phenyloxane-3-carboxamide (PubChem CID 103578898) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-pent-1-yn-3-yl-2-phenyloxane-3-carboxamide.

Molecular Properties

Compound NameN-pent-1-yn-3-yl-2-phenyloxane-3-carboxamide
PubChem CID103578898
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-pent-1-yn-3-yl-2-phenyloxane-3-carboxamide
SMILESC#CC(CC)NC(=O)C1CCCOC1c1ccccc1
InChIInChI=1S/C17H21NO2/c1-3-14(4-2)18-17(19)15-11-8-12-20-16(15)13-9-6-5-7-10-13/h1,5-7,9-10,14-16H,4,8,11-12H2,2H3,(H,18,19)
InChIKeySLYUZALMILVDJE-UHFFFAOYSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-pent-1-yn-3-yl-2-phenyloxane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-cyclopropylethyl)-2-phenyloxane-3-carboxamide
CID 115301019
N-[(2S)-1-aminopropan-2-yl]-2-(4-methylphenyl)oxane-3-carboxamide
CID 120508179
(2R,3R)-2-phenyl-3-prop-1-en-2-yloxane
CID 134858494
2-amino-N-pent-1-yn-3-ylcycloheptane-1-carboxamide
CID 106230271
5-[(2-phenyloxane-3-carbonyl)amino]pentanoic acid
CID 119235243
2-methyl-5-[[[(2R,3R)-2-phenyloxane-3-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 125148950
N-pent-1-yn-3-ylbicyclo[3.1.0]hexane-6-carboxamide
CID 103579393
2-(pent-1-yn-3-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 106223865
6-(pent-1-yn-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 106223888
2-[[(2S,3S)-2-(4-methylphenyl)oxane-3-carbonyl]amino]acetic acid
CID 125151438
2-[ethyl-[(2S,3R)-2-phenyloxane-3-carbonyl]amino]acetic acid
CID 93433880
N-pent-1-yn-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 103579233

Frequently Asked Questions

What is the IUPAC name of N-pent-1-yn-3-yl-2-phenyloxane-3-carboxamide?
The IUPAC name of N-pent-1-yn-3-yl-2-phenyloxane-3-carboxamide (CID 103578898) is N-pent-1-yn-3-yl-2-phenyloxane-3-carboxamide.
What is the SMILES notation for N-pent-1-yn-3-yl-2-phenyloxane-3-carboxamide?
The canonical SMILES for N-pent-1-yn-3-yl-2-phenyloxane-3-carboxamide is C#CC(CC)NC(=O)C1CCCOC1c1ccccc1.
What is the InChIKey of N-pent-1-yn-3-yl-2-phenyloxane-3-carboxamide?
The InChIKey is SLYUZALMILVDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-14(4-2)18-17(19)15-11-8-12-20-16(15)13-9-6-5-7-10-13/h1,5-7,9-10,14-16H,4,8,11-12H2,2H3,(H,18,19).
What are the key properties of N-pent-1-yn-3-yl-2-phenyloxane-3-carboxamide?
N-pent-1-yn-3-yl-2-phenyloxane-3-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-1-yn-3-yl-2-phenyloxane-3-carboxamide is sourced from PubChem (CID 103578898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).