[3-[(2R,3S)-1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate

C24H34N2O3 — CID 68830502

IUPAC[3-[(2R,3S)-1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate
SMILESCC[C@@](O)(c1cccc(OC(=O)Nc2ccc(C(C)C)cc2)c1)[C@H](C)CN(C)C
InChIInChI=1S/C24H34N2O3/c1-7-24(28,18(4)16-26(5)6)20-9-8-10-22(15-20)29-23(27)25-21-13-11-19(12-14-21)17(2)3/h8-15,17-18,28H,7,16H2,1-6H3,(H,25,27)/t18-,24+/m1/s1
InChIKeyJYMKNTXWMPSCSN-KOSHJBKYSA-N
MW398.55 g/mol
LogP5.22
Rot. Bonds8

About [3-[(2R,3S)-1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate

[3-[(2R,3S)-1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate (PubChem CID 68830502) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is [3-[(2R,3S)-1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate.

Molecular Properties

Compound Name[3-[(2R,3S)-1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate
PubChem CID68830502
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC Name[3-[(2R,3S)-1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate
SMILESCC[C@@](O)(c1cccc(OC(=O)Nc2ccc(C(C)C)cc2)c1)[C@H](C)CN(C)C
InChIInChI=1S/C24H34N2O3/c1-7-24(28,18(4)16-26(5)6)20-9-8-10-22(15-20)29-23(27)25-21-13-11-19(12-14-21)17(2)3/h8-15,17-18,28H,7,16H2,1-6H3,(H,25,27)/t18-,24+/m1/s1
InChIKeyJYMKNTXWMPSCSN-KOSHJBKYSA-N
XLogP5.22
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-[(2R,3S)-1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate with MolForge

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Related Compounds

(2S,3S)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol;[(2S,3R)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-yl] N-phenylcarbamate
CID 159218124
(2S,3S)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol;hydrochloride
CID 67043376
[3-[(Z,4S)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate
CID 68829982
2,3-dihydroxybutanedioic acid;(2S,3S)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol
CID 86624368
2-acetyloxybenzoic acid;(2R,3R)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol
CID 160584558
(2R,3R)-1-(dimethylamino)-2-methyl-3-(3-methylsulfanylphenyl)pentan-3-ol;hydrochloride
CID 162309732
1-(dimethylamino)-2-methyl-3-(3-prop-2-enylphenyl)pentan-3-ol
CID 142838917
[3-[1-(dimethylamino)ethyl]phenyl] N-[4-(4-aminophenyl)sulfanylphenyl]carbamate
CID 143733575
3-[3-(1-hydroxyethoxy)phenyl]-2-methyl-1-(methylamino)pentan-3-ol
CID 142834798
1,1-dimethyl-3-(4-propan-2-ylphenyl)urea;1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea
CID 159194263
N-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 4848940
[3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenyl] N-methylcarbamate;hydrochloride
CID 50899286

Frequently Asked Questions

What is the IUPAC name of [3-[(2R,3S)-1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate?
The IUPAC name of [3-[(2R,3S)-1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate (CID 68830502) is [3-[(2R,3S)-1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate.
What is the SMILES notation for [3-[(2R,3S)-1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate?
The canonical SMILES for [3-[(2R,3S)-1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate is CC[C@@](O)(c1cccc(OC(=O)Nc2ccc(C(C)C)cc2)c1)[C@H](C)CN(C)C.
What is the InChIKey of [3-[(2R,3S)-1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate?
The InChIKey is JYMKNTXWMPSCSN-KOSHJBKYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-7-24(28,18(4)16-26(5)6)20-9-8-10-22(15-20)29-23(27)25-21-13-11-19(12-14-21)17(2)3/h8-15,17-18,28H,7,16H2,1-6H3,(H,25,27)/t18-,24+/m1/s1.
What are the key properties of [3-[(2R,3S)-1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate?
[3-[(2R,3S)-1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate has a molecular weight of 398.55 g/mol, XLogP of 5.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2R,3S)-1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate is sourced from PubChem (CID 68830502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).