N-[3-[acetyl(ethyl)amino]propyl]-4-phenyloxane-4-carboxamide

C19H28N2O3 — CID 51090712

IUPACN-[3-[acetyl(ethyl)amino]propyl]-4-phenyloxane-4-carboxamide
SMILESCCN(CCCNC(=O)C1(c2ccccc2)CCOCC1)C(C)=O
InChIInChI=1S/C19H28N2O3/c1-3-21(16(2)22)13-7-12-20-18(23)19(10-14-24-15-11-19)17-8-5-4-6-9-17/h4-6,8-9H,3,7,10-15H2,1-2H3,(H,20,23)
InChIKeySCPJRWMPWHMRLY-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.11
Rot. Bonds7

About N-[3-[acetyl(ethyl)amino]propyl]-4-phenyloxane-4-carboxamide

N-[3-[acetyl(ethyl)amino]propyl]-4-phenyloxane-4-carboxamide (PubChem CID 51090712) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[3-[acetyl(ethyl)amino]propyl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[3-[acetyl(ethyl)amino]propyl]-4-phenyloxane-4-carboxamide
PubChem CID51090712
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[3-[acetyl(ethyl)amino]propyl]-4-phenyloxane-4-carboxamide
SMILESCCN(CCCNC(=O)C1(c2ccccc2)CCOCC1)C(C)=O
InChIInChI=1S/C19H28N2O3/c1-3-21(16(2)22)13-7-12-20-18(23)19(10-14-24-15-11-19)17-8-5-4-6-9-17/h4-6,8-9H,3,7,10-15H2,1-2H3,(H,20,23)
InChIKeySCPJRWMPWHMRLY-UHFFFAOYSA-N
XLogP2.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.11
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

N-[3-(dimethylamino)propyl]-1-phenylcyclobutane-1-carboxamide
CID 110437520
4-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]butanoic acid
CID 119352741
N-[(3R)-3-hydroxy-3-phenylpropyl]-4-phenyloxane-4-carboxamide
CID 96568311
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
1-acetyl-N-butyl-4-phenylpiperidine-4-carboxamide
CID 39889707
N-(3-iodopropyl)-1-phenylcyclopropane-1-carboxamide
CID 114504381
4-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]butanoic acid
CID 119128032
N-[2-(methylamino)propyl]-4-phenyloxane-4-carboxamide;hydrochloride
CID 120832802
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
N-[2-(N-methylanilino)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 24668035
N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-phenyloxane-4-carboxamide
CID 121087464
N,N-diethyl-4-[[(1-phenylcyclopropanecarbonyl)amino]methyl]benzamide
CID 34833770

Frequently Asked Questions

What is the IUPAC name of N-[3-[acetyl(ethyl)amino]propyl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[3-[acetyl(ethyl)amino]propyl]-4-phenyloxane-4-carboxamide (CID 51090712) is N-[3-[acetyl(ethyl)amino]propyl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[3-[acetyl(ethyl)amino]propyl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[3-[acetyl(ethyl)amino]propyl]-4-phenyloxane-4-carboxamide is CCN(CCCNC(=O)C1(c2ccccc2)CCOCC1)C(C)=O.
What is the InChIKey of N-[3-[acetyl(ethyl)amino]propyl]-4-phenyloxane-4-carboxamide?
The InChIKey is SCPJRWMPWHMRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-3-21(16(2)22)13-7-12-20-18(23)19(10-14-24-15-11-19)17-8-5-4-6-9-17/h4-6,8-9H,3,7,10-15H2,1-2H3,(H,20,23).
What are the key properties of N-[3-[acetyl(ethyl)amino]propyl]-4-phenyloxane-4-carboxamide?
N-[3-[acetyl(ethyl)amino]propyl]-4-phenyloxane-4-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[acetyl(ethyl)amino]propyl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 51090712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).