N-[4-(3-propan-2-yloxypropylcarbamoyl)phenyl]oxolane-2-carboxamide

C18H26N2O4 — CID 3244061

IUPACN-[4-(3-propan-2-yloxypropylcarbamoyl)phenyl]oxolane-2-carboxamide
SMILESCC(C)OCCCNC(=O)c1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C18H26N2O4/c1-13(2)23-12-4-10-19-17(21)14-6-8-15(9-7-14)20-18(22)16-5-3-11-24-16/h6-9,13,16H,3-5,10-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyNNNDGXJQBMEKOL-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.35
Rot. Bonds8

About N-[4-(3-propan-2-yloxypropylcarbamoyl)phenyl]oxolane-2-carboxamide

N-[4-(3-propan-2-yloxypropylcarbamoyl)phenyl]oxolane-2-carboxamide (PubChem CID 3244061) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[4-(3-propan-2-yloxypropylcarbamoyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-propan-2-yloxypropylcarbamoyl)phenyl]oxolane-2-carboxamide
PubChem CID3244061
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-[4-(3-propan-2-yloxypropylcarbamoyl)phenyl]oxolane-2-carboxamide
SMILESCC(C)OCCCNC(=O)c1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C18H26N2O4/c1-13(2)23-12-4-10-19-17(21)14-6-8-15(9-7-14)20-18(22)16-5-3-11-24-16/h6-9,13,16H,3-5,10-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyNNNDGXJQBMEKOL-UHFFFAOYSA-N
XLogP2.35
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.35
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

N-[4-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 4916601
N-(2-morpholin-4-ylethyl)-4-(pentanoylamino)benzamide
CID 2212314
L-Glutamic acid, N-(4-(methylamino)benzoyl)-, 1,5-diethyl ester
CID 75413
4-acetamido-N-(3-methoxypropyl)benzamide
CID 2096192
4-(acetylamino)-N-(3-isopropoxypropyl)benzamide
CID 2228400
[2-(4-Acetylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2380175
3-nitro-N-(4-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}phenyl)benzamide
CID 2948274
N-(4-acetylphenyl)oxolane-2-carboxamide
CID 3155118
3-benzamido-N-(oxolan-2-ylmethyl)benzamide
CID 3747400
N-{4-[(Prop-2-EN-1-YL)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
CID 20954860
Methyl (4-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}phenyl)carbamate
CID 2961671
N-(4-{[3-methyl-4-(3-methylphenyl)piperazin-1-yl]carbonyl}phenyl)tetrahydrofuran-2-carboxamide
CID 3236078

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-propan-2-yloxypropylcarbamoyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(3-propan-2-yloxypropylcarbamoyl)phenyl]oxolane-2-carboxamide (CID 3244061) is N-[4-(3-propan-2-yloxypropylcarbamoyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(3-propan-2-yloxypropylcarbamoyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(3-propan-2-yloxypropylcarbamoyl)phenyl]oxolane-2-carboxamide is CC(C)OCCCNC(=O)c1ccc(NC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[4-(3-propan-2-yloxypropylcarbamoyl)phenyl]oxolane-2-carboxamide?
The InChIKey is NNNDGXJQBMEKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-13(2)23-12-4-10-19-17(21)14-6-8-15(9-7-14)20-18(22)16-5-3-11-24-16/h6-9,13,16H,3-5,10-12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[4-(3-propan-2-yloxypropylcarbamoyl)phenyl]oxolane-2-carboxamide?
N-[4-(3-propan-2-yloxypropylcarbamoyl)phenyl]oxolane-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-propan-2-yloxypropylcarbamoyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 3244061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).