N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide

C16H23ClN2O2 — CID 81357106

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)N[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O2/c1-3-8-18-15-10-21-9-14(15)16(20)19-11(2)12-4-6-13(17)7-5-12/h4-7,11,14-15,18H,3,8-10H2,1-2H3,(H,19,20)/t11-,14?,15?/m1/s1
InChIKeyFVMJUKMDVSPTQH-VCANKDNSSA-N
MW310.82 g/mol
LogP2.53
Rot. Bonds6

About N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide

N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide (PubChem CID 81357106) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide
PubChem CID81357106
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)N[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O2/c1-3-8-18-15-10-21-9-14(15)16(20)19-11(2)12-4-6-13(17)7-5-12/h4-7,11,14-15,18H,3,8-10H2,1-2H3,(H,19,20)/t11-,14?,15?/m1/s1
InChIKeyFVMJUKMDVSPTQH-VCANKDNSSA-N
XLogP2.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide
CID 106212889
N-propan-2-yl-4-(propylamino)oxolane-3-carboxamide
CID 66254772
N-[(1R)-1-(2-methylphenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 81363941
N-[1-(3-chlorophenyl)ethyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66260046
4-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]oxolane-3-carboxamide
CID 66265793
(2S)-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 66255015
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 106388450
ethyl 2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoate
CID 66257122
N-[1-(4-chlorophenyl)propyl]-4-(methylamino)oxolane-3-carboxamide
CID 66265788
4-(ethylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide
CID 106212783
N-[(2R)-1-hydroxybutan-2-yl]-4-(propylamino)oxolane-3-carboxamide
CID 107221302
N-[1-(diethylamino)propan-2-yl]-4-(propylamino)oxolane-3-carboxamide
CID 66255598

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide (CID 81357106) is N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)N[C@H](C)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is FVMJUKMDVSPTQH-VCANKDNSSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-3-8-18-15-10-21-9-14(15)16(20)19-11(2)12-4-6-13(17)7-5-12/h4-7,11,14-15,18H,3,8-10H2,1-2H3,(H,19,20)/t11-,14?,15?/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide?
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 310.82 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 81357106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).