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

C19H25N3O3 — CID 71851484

IUPACtert-butyl N-[1-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(C(=O)NCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C19H25N3O3/c1-18(2,3)25-17(24)22-19(9-10-19)16(23)20-11-8-13-12-21-15-7-5-4-6-14(13)15/h4-7,12,21H,8-11H2,1-3H3,(H,20,23)(H,22,24)
InChIKeyVVOFKNOJRNSASC-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.88
Rot. Bonds5

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

tert-butyl N-[1-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropyl]carbamate (PubChem CID 71851484) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropyl]carbamate
PubChem CID71851484
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Nametert-butyl N-[1-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(C(=O)NCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C19H25N3O3/c1-18(2,3)25-17(24)22-19(9-10-19)16(23)20-11-8-13-12-21-15-7-5-4-6-14(13)15/h4-7,12,21H,8-11H2,1-3H3,(H,20,23)(H,22,24)
InChIKeyVVOFKNOJRNSASC-UHFFFAOYSA-N
XLogP2.88
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119263383
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tert-butyl N-[2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethyl]carbamate
CID 10135626
1-N-[2-(1H-indol-3-yl)ethyl]-1-N'-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropyl]carbamate (CID 71851484) is tert-butyl N-[1-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1(C(=O)NCCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of tert-butyl N-[1-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropyl]carbamate?
The InChIKey is VVOFKNOJRNSASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-18(2,3)25-17(24)22-19(9-10-19)16(23)20-11-8-13-12-21-15-7-5-4-6-14(13)15/h4-7,12,21H,8-11H2,1-3H3,(H,20,23)(H,22,24).
What are the key properties of tert-butyl N-[1-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropyl]carbamate?
tert-butyl N-[1-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropyl]carbamate has a molecular weight of 343.43 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropyl]carbamate is sourced from PubChem (CID 71851484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).