[3-[(Z,4S)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate

C24H32N2O2 — CID 68829982

IUPAC[3-[(Z,4S)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate
SMILESC/C=C(\c1cccc(OC(=O)Nc2ccc(C(C)C)cc2)c1)[C@H](C)CN(C)C
InChIInChI=1S/C24H32N2O2/c1-7-23(18(4)16-26(5)6)20-9-8-10-22(15-20)28-24(27)25-21-13-11-19(12-14-21)17(2)3/h7-15,17-18H,16H2,1-6H3,(H,25,27)/b23-7-/t18-/m1/s1
InChIKeyZMUWFZKOOHQRKU-NZZSKLDOSA-N
MW380.53 g/mol
LogP6.02
Rot. Bonds7

About [3-[(Z,4S)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate

[3-[(Z,4S)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate (PubChem CID 68829982) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is [3-[(Z,4S)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate.

Molecular Properties

Compound Name[3-[(Z,4S)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate
PubChem CID68829982
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name[3-[(Z,4S)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate
SMILESC/C=C(\c1cccc(OC(=O)Nc2ccc(C(C)C)cc2)c1)[C@H](C)CN(C)C
InChIInChI=1S/C24H32N2O2/c1-7-23(18(4)16-26(5)6)20-9-8-10-22(15-20)28-24(27)25-21-13-11-19(12-14-21)17(2)3/h7-15,17-18H,16H2,1-6H3,(H,25,27)/b23-7-/t18-/m1/s1
InChIKeyZMUWFZKOOHQRKU-NZZSKLDOSA-N
XLogP6.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[(Z,4S)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate with MolForge

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Related Compounds

[3-[(2R,3S)-1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate
CID 68830502
3-[(E)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenol;hydrochloride
CID 18974528
[3-[1-(dimethylamino)ethyl]phenyl] N-[4-(4-aminophenyl)sulfanylphenyl]carbamate
CID 143733575
[3-[[4-[2-(4-propan-2-ylphenoxy)propanoylamino]phenyl]carbamoyl]phenyl] acetate
CID 108927645
3-(dimethylamino)-2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-one
CID 90058025
[3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenyl] N-methylcarbamate;hydrochloride
CID 50899286
(1-phenyl-2,3-dihydroindol-5-yl) N-(4-propan-2-ylphenyl)carbamate
CID 86659883
[3-acetyloxy-5-[(4-propan-2-ylphenyl)carbamoyl]phenyl] acetate
CID 2975179
[4-(dimethylamino)-3-propan-2-ylphenyl] N-phenylcarbamate;iodomethane
CID 23621709
methyl 3-[[2-oxo-2-(4-propan-2-ylanilino)acetyl]amino]benzoate
CID 108986948
3-propan-2-yloxy-N-[4-[[4-[(3-propan-2-yloxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 17142916
[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882302

Frequently Asked Questions

What is the IUPAC name of [3-[(Z,4S)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate?
The IUPAC name of [3-[(Z,4S)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate (CID 68829982) is [3-[(Z,4S)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate.
What is the SMILES notation for [3-[(Z,4S)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate?
The canonical SMILES for [3-[(Z,4S)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate is C/C=C(\c1cccc(OC(=O)Nc2ccc(C(C)C)cc2)c1)[C@H](C)CN(C)C.
What is the InChIKey of [3-[(Z,4S)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate?
The InChIKey is ZMUWFZKOOHQRKU-NZZSKLDOSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-7-23(18(4)16-26(5)6)20-9-8-10-22(15-20)28-24(27)25-21-13-11-19(12-14-21)17(2)3/h7-15,17-18H,16H2,1-6H3,(H,25,27)/b23-7-/t18-/m1/s1.
What are the key properties of [3-[(Z,4S)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate?
[3-[(Z,4S)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate has a molecular weight of 380.53 g/mol, XLogP of 6.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(Z,4S)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate is sourced from PubChem (CID 68829982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).