N-[1-(4-chlorophenyl)propyl]-4-(methylamino)oxolane-3-carboxamide

C15H21ClN2O2 — CID 66265788

IUPACN-[1-(4-chlorophenyl)propyl]-4-(methylamino)oxolane-3-carboxamide
SMILESCCC(NC(=O)C1COCC1NC)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2/c1-3-13(10-4-6-11(16)7-5-10)18-15(19)12-8-20-9-14(12)17-2/h4-7,12-14,17H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyLLHUKRIZODQNHQ-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.14
Rot. Bonds5

About N-[1-(4-chlorophenyl)propyl]-4-(methylamino)oxolane-3-carboxamide

N-[1-(4-chlorophenyl)propyl]-4-(methylamino)oxolane-3-carboxamide (PubChem CID 66265788) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propyl]-4-(methylamino)oxolane-3-carboxamide
PubChem CID66265788
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-[1-(4-chlorophenyl)propyl]-4-(methylamino)oxolane-3-carboxamide
SMILESCCC(NC(=O)C1COCC1NC)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2/c1-3-13(10-4-6-11(16)7-5-10)18-15(19)12-8-20-9-14(12)17-2/h4-7,12-14,17H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyLLHUKRIZODQNHQ-UHFFFAOYSA-N
XLogP2.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-chlorophenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974662
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 81357106
2-[[4-(methylamino)oxolane-3-carbonyl]amino]-2-phenylacetic acid
CID 66267213
(4-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate
CID 66267073
N-[(4-chlorophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66267194
N-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 78982260
4-(methylamino)-N-(4-phenylbutan-2-yl)oxolane-3-carboxamide
CID 66265448
N-[1-(4-chlorophenyl)propyl]morpholine-2-carboxamide;hydrochloride
CID 119699910
2-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpropanamide
CID 61265406
N-heptan-2-yl-4-(methylamino)oxolane-3-carboxamide
CID 66267744
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-(methylamino)oxolane-3-carboxamide
CID 107860965
4-(carbamoylamino)-N-[(1S)-1-(4-chlorophenyl)propyl]cyclohexane-1-carboxamide
CID 95274422

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)propyl]-4-(methylamino)oxolane-3-carboxamide (CID 66265788) is N-[1-(4-chlorophenyl)propyl]-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)propyl]-4-(methylamino)oxolane-3-carboxamide is CCC(NC(=O)C1COCC1NC)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propyl]-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is LLHUKRIZODQNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-3-13(10-4-6-11(16)7-5-10)18-15(19)12-8-20-9-14(12)17-2/h4-7,12-14,17H,3,8-9H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(4-chlorophenyl)propyl]-4-(methylamino)oxolane-3-carboxamide?
N-[1-(4-chlorophenyl)propyl]-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propyl]-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66265788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).