[(2R)-5-(dimethylamino)pent-3-yn-2-yl] N-(3-chlorophenyl)carbamate

C14H17ClN2O2 — CID 15025145

IUPAC[(2R)-5-(dimethylamino)pent-3-yn-2-yl] N-(3-chlorophenyl)carbamate
SMILESC[C@H](C#CCN(C)C)OC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H17ClN2O2/c1-11(6-5-9-17(2)3)19-14(18)16-13-8-4-7-12(15)10-13/h4,7-8,10-11H,9H2,1-3H3,(H,16,18)/t11-/m1/s1
InChIKeyFYZCJVRQNGWKDE-LLVKDONJSA-N
MW280.75 g/mol
LogP2.84
Rot. Bonds3

About [(2R)-5-(dimethylamino)pent-3-yn-2-yl] N-(3-chlorophenyl)carbamate

[(2R)-5-(dimethylamino)pent-3-yn-2-yl] N-(3-chlorophenyl)carbamate (PubChem CID 15025145) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is [(2R)-5-(dimethylamino)pent-3-yn-2-yl] N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Name[(2R)-5-(dimethylamino)pent-3-yn-2-yl] N-(3-chlorophenyl)carbamate
PubChem CID15025145
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name[(2R)-5-(dimethylamino)pent-3-yn-2-yl] N-(3-chlorophenyl)carbamate
SMILESC[C@H](C#CCN(C)C)OC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H17ClN2O2/c1-11(6-5-9-17(2)3)19-14(18)16-13-8-4-7-12(15)10-13/h4,7-8,10-11H,9H2,1-3H3,(H,16,18)/t11-/m1/s1
InChIKeyFYZCJVRQNGWKDE-LLVKDONJSA-N
XLogP2.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(3-chlorophenyl)carbamate
CID 16529
3-iodoprop-2-ynyl N-(3-chlorophenyl)carbamate
CID 14229860
N-(3-chlorophenyl)-2-methylbutanamide
CID 4636150
1,1-bis[(2S)-butan-2-yl]-3-(3-chlorophenyl)urea
CID 40636276
benzene;4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate
CID 68619895
(2S)-2-chloro-N-(3-chlorophenyl)propanamide
CID 2404784
2-(dimethylcarbamoylamino)ethyl N-(3-chlorophenyl)carbamate
CID 71675480
sodium;4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate;hydride
CID 173150654
CID 67880858
CID 67880858
3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 119912317
N-(3-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]propanamide
CID 110881185
2,2-dichloroethenyl N-(3-chlorophenyl)carbamate
CID 14150192

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-(dimethylamino)pent-3-yn-2-yl] N-(3-chlorophenyl)carbamate?
The IUPAC name of [(2R)-5-(dimethylamino)pent-3-yn-2-yl] N-(3-chlorophenyl)carbamate (CID 15025145) is [(2R)-5-(dimethylamino)pent-3-yn-2-yl] N-(3-chlorophenyl)carbamate.
What is the SMILES notation for [(2R)-5-(dimethylamino)pent-3-yn-2-yl] N-(3-chlorophenyl)carbamate?
The canonical SMILES for [(2R)-5-(dimethylamino)pent-3-yn-2-yl] N-(3-chlorophenyl)carbamate is C[C@H](C#CCN(C)C)OC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of [(2R)-5-(dimethylamino)pent-3-yn-2-yl] N-(3-chlorophenyl)carbamate?
The InChIKey is FYZCJVRQNGWKDE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-11(6-5-9-17(2)3)19-14(18)16-13-8-4-7-12(15)10-13/h4,7-8,10-11H,9H2,1-3H3,(H,16,18)/t11-/m1/s1.
What are the key properties of [(2R)-5-(dimethylamino)pent-3-yn-2-yl] N-(3-chlorophenyl)carbamate?
[(2R)-5-(dimethylamino)pent-3-yn-2-yl] N-(3-chlorophenyl)carbamate has a molecular weight of 280.75 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-(dimethylamino)pent-3-yn-2-yl] N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 15025145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).