tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-(naphthalene-1-carbonylamino)-1-oxopropan-2-yl]carbamate

C27H27N3O4 — CID 68870188

IUPACtert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-(naphthalene-1-carbonylamino)-1-oxopropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC(=O)c1cccc2ccccc12
InChIInChI=1S/C27H27N3O4/c1-27(2,3)34-26(33)29-23(15-18-16-28-22-14-7-6-12-20(18)22)25(32)30-24(31)21-13-8-10-17-9-4-5-11-19(17)21/h4-14,16,23,28H,15H2,1-3H3,(H,29,33)(H,30,31,32)/t23-/m1/s1
InChIKeyIZZFMNXFOBKLCP-HSZRJFAPSA-N
MW457.53 g/mol
LogP4.71
Rot. Bonds5

About tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-(naphthalene-1-carbonylamino)-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-(naphthalene-1-carbonylamino)-1-oxopropan-2-yl]carbamate (PubChem CID 68870188) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-(naphthalene-1-carbonylamino)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-(naphthalene-1-carbonylamino)-1-oxopropan-2-yl]carbamate
PubChem CID68870188
Molecular FormulaC27H27N3O4
Molecular Weight457.53 g/mol
Exact Mass457.20
IUPAC Nametert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-(naphthalene-1-carbonylamino)-1-oxopropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC(=O)c1cccc2ccccc12
InChIInChI=1S/C27H27N3O4/c1-27(2,3)34-26(33)29-23(15-18-16-28-22-14-7-6-12-20(18)22)25(32)30-24(31)21-13-8-10-17-9-4-5-11-19(17)21/h4-14,16,23,28H,15H2,1-3H3,(H,29,33)(H,30,31,32)/t23-/m1/s1
InChIKeyIZZFMNXFOBKLCP-HSZRJFAPSA-N
XLogP4.71
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2R)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 7109658
tert-butyl N-[(2R)-1-[[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 131724766
methyl (2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 15755404
tert-butyl N-[3-(1H-indol-3-yl)-1-(naphthalen-1-ylmethylamino)-1-sulfanylidenepropan-2-yl]carbamate
CID 76723092
(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrochloride
CID 141497197
methyl 2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate
CID 6999730
2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid
CID 3711766
tert-butyl N-[(2S)-3-(1H-indol-3-yl)-1-(4-methoxyanilino)-1-oxopropan-2-yl]carbamate
CID 7437847
tert-butyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 10666931
tert-butyl N-[(2S)-1-(2-benzylhydrazinyl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 131720940
tert-butyl N-[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-4-methyl-2-(2-phenylethylamino)pentanoyl]amino]-1-oxopropan-2-yl]carbamate
CID 67641237
tert-butyl N-[(2S)-3-(4-hydroxyphenyl)-1-[[(2R)-3-(1H-indol-3-yl)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 25034079

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-(naphthalene-1-carbonylamino)-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-(naphthalene-1-carbonylamino)-1-oxopropan-2-yl]carbamate (CID 68870188) is tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-(naphthalene-1-carbonylamino)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-(naphthalene-1-carbonylamino)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-(naphthalene-1-carbonylamino)-1-oxopropan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC(=O)c1cccc2ccccc12.
What is the InChIKey of tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-(naphthalene-1-carbonylamino)-1-oxopropan-2-yl]carbamate?
The InChIKey is IZZFMNXFOBKLCP-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H27N3O4/c1-27(2,3)34-26(33)29-23(15-18-16-28-22-14-7-6-12-20(18)22)25(32)30-24(31)21-13-8-10-17-9-4-5-11-19(17)21/h4-14,16,23,28H,15H2,1-3H3,(H,29,33)(H,30,31,32)/t23-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-(naphthalene-1-carbonylamino)-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-(naphthalene-1-carbonylamino)-1-oxopropan-2-yl]carbamate has a molecular weight of 457.53 g/mol, XLogP of 4.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-(naphthalene-1-carbonylamino)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 68870188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).