tert-butyl N-[1-(1H-indol-3-yl)-3-phenylpropan-2-yl]carbamate

C22H26N2O2 — CID 153378625

IUPACtert-butyl N-[1-(1H-indol-3-yl)-3-phenylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccccc1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H26N2O2/c1-22(2,3)26-21(25)24-18(13-16-9-5-4-6-10-16)14-17-15-23-20-12-8-7-11-19(17)20/h4-12,15,18,23H,13-14H2,1-3H3,(H,24,25)
InChIKeyBCMQDTCTNOTZAM-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.85
Rot. Bonds5

About tert-butyl N-[1-(1H-indol-3-yl)-3-phenylpropan-2-yl]carbamate

tert-butyl N-[1-(1H-indol-3-yl)-3-phenylpropan-2-yl]carbamate (PubChem CID 153378625) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is tert-butyl N-[1-(1H-indol-3-yl)-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1H-indol-3-yl)-3-phenylpropan-2-yl]carbamate
PubChem CID153378625
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Nametert-butyl N-[1-(1H-indol-3-yl)-3-phenylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccccc1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H26N2O2/c1-22(2,3)26-21(25)24-18(13-16-9-5-4-6-10-16)14-17-15-23-20-12-8-7-11-19(17)20/h4-12,15,18,23H,13-14H2,1-3H3,(H,24,25)
InChIKeyBCMQDTCTNOTZAM-UHFFFAOYSA-N
XLogP4.85
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-indol-3-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 3933942
tert-butyl N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
CID 20744818
[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]azanium
CID 142070934
tert-butyl N-[(2R)-1-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)propan-2-yl]carbamate
CID 151101913
(3S)-4-(1H-indol-3-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 7010027
tert-butyl N-[1-(7-methyl-1H-indol-3-yl)-3-phenylpropan-2-yl]carbamate
CID 175116528
(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrochloride
CID 141497197
benzyl (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 10318477
(3R)-4-[[(2S)-1-[[(2S)-1-[[(2R)-1-amino-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 11490965
prop-2-enyl N-[(2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 140937778
tert-butyl N-[(2S)-1-(2-benzylhydrazinyl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 131720940
(3S,4S)-3-hydroxy-5-(1H-indol-3-yl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 2755944

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1H-indol-3-yl)-3-phenylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(1H-indol-3-yl)-3-phenylpropan-2-yl]carbamate (CID 153378625) is tert-butyl N-[1-(1H-indol-3-yl)-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1H-indol-3-yl)-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1H-indol-3-yl)-3-phenylpropan-2-yl]carbamate is CC(C)(C)OC(=O)NC(Cc1ccccc1)Cc1c[nH]c2ccccc12.
What is the InChIKey of tert-butyl N-[1-(1H-indol-3-yl)-3-phenylpropan-2-yl]carbamate?
The InChIKey is BCMQDTCTNOTZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-22(2,3)26-21(25)24-18(13-16-9-5-4-6-10-16)14-17-15-23-20-12-8-7-11-19(17)20/h4-12,15,18,23H,13-14H2,1-3H3,(H,24,25).
What are the key properties of tert-butyl N-[1-(1H-indol-3-yl)-3-phenylpropan-2-yl]carbamate?
tert-butyl N-[1-(1H-indol-3-yl)-3-phenylpropan-2-yl]carbamate has a molecular weight of 350.46 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1H-indol-3-yl)-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 153378625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).