tert-butyl N-[3-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]amino]-2-methylpropylidene]carbamate

C24H31N3O3 — CID 149336404

IUPACtert-butyl N-[3-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]amino]-2-methylpropylidene]carbamate
SMILESCC(C=NC(=O)OC(C)(C)C)CNC[C@H](O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C24H31N3O3/c1-17(14-26-23(29)30-24(2,3)4)13-25-15-18(28)16-27-21-11-7-5-9-19(21)20-10-6-8-12-22(20)27/h5-12,14,17-18,25,28H,13,15-16H2,1-4H3/t17?,18-/m0/s1
InChIKeyYDIBGPQFRKIOCO-ZVAWYAOSSA-N
MW409.53 g/mol
LogP4.39
Rot. Bonds7

About tert-butyl N-[3-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]amino]-2-methylpropylidene]carbamate

tert-butyl N-[3-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]amino]-2-methylpropylidene]carbamate (PubChem CID 149336404) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is tert-butyl N-[3-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]amino]-2-methylpropylidene]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]amino]-2-methylpropylidene]carbamate
PubChem CID149336404
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Nametert-butyl N-[3-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]amino]-2-methylpropylidene]carbamate
SMILESCC(C=NC(=O)OC(C)(C)C)CNC[C@H](O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C24H31N3O3/c1-17(14-26-23(29)30-24(2,3)4)13-25-15-18(28)16-27-21-11-7-5-9-19(21)20-10-6-8-12-22(20)27/h5-12,14,17-18,25,28H,13,15-16H2,1-4H3/t17?,18-/m0/s1
InChIKeyYDIBGPQFRKIOCO-ZVAWYAOSSA-N
XLogP4.39
TPSA75.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[1-[(3-carbazol-9-yl-2-hydroxypropyl)amino]propan-2-yl]carbamate
CID 123173626
[(2R)-1-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]amino]propan-2-yl]carbamic acid
CID 118415459
1-carbazol-9-yl-3-[3-(dimethylamino)propylamino]propan-2-ol;oxalic acid
CID 16807164
3-[(3-carbazol-9-yl-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol
CID 154741332
(2R)-1-carbazol-9-yl-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 7411148
(2R)-1-carbazol-9-yl-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 2368013
1-carbazol-9-yl-3-(1-phenylethylamino)propan-2-ol
CID 3635355
1-carbazol-9-yl-3-phenylsulfanylpropan-2-ol
CID 70682192
(2S)-1-carbazol-9-yl-3-(2,4,6-trimethylanilino)propan-2-ol
CID 7721479
2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]butan-1-ol
CID 6710542
(2S)-2-[[(2R)-3-carbazol-9-yl-2-hydroxypropyl]amino]butan-1-ol
CID 962217
1-carbazol-9-yl-3-[1,3-di(carbazol-9-yl)propan-2-yloxy]propan-2-ol
CID 3610728

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]amino]-2-methylpropylidene]carbamate?
The IUPAC name of tert-butyl N-[3-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]amino]-2-methylpropylidene]carbamate (CID 149336404) is tert-butyl N-[3-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]amino]-2-methylpropylidene]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]amino]-2-methylpropylidene]carbamate?
The canonical SMILES for tert-butyl N-[3-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]amino]-2-methylpropylidene]carbamate is CC(C=NC(=O)OC(C)(C)C)CNC[C@H](O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of tert-butyl N-[3-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]amino]-2-methylpropylidene]carbamate?
The InChIKey is YDIBGPQFRKIOCO-ZVAWYAOSSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-17(14-26-23(29)30-24(2,3)4)13-25-15-18(28)16-27-21-11-7-5-9-19(21)20-10-6-8-12-22(20)27/h5-12,14,17-18,25,28H,13,15-16H2,1-4H3/t17?,18-/m0/s1.
What are the key properties of tert-butyl N-[3-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]amino]-2-methylpropylidene]carbamate?
tert-butyl N-[3-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]amino]-2-methylpropylidene]carbamate has a molecular weight of 409.53 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]amino]-2-methylpropylidene]carbamate is sourced from PubChem (CID 149336404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).