tert-butyl N-[3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propyl]carbamate

C19H28N2O3 — CID 113261110

IUPACtert-butyl N-[3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propyl]carbamate
SMILESCc1c(C(C)NCCCNC(=O)OC(C)(C)C)oc2ccccc12
InChIInChI=1S/C19H28N2O3/c1-13-15-9-6-7-10-16(15)23-17(13)14(2)20-11-8-12-21-18(22)24-19(3,4)5/h6-7,9-10,14,20H,8,11-12H2,1-5H3,(H,21,22)
InChIKeyVPMKDNLWSSFHND-UHFFFAOYSA-N
MW332.44 g/mol
LogP4.31
Rot. Bonds6

About tert-butyl N-[3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propyl]carbamate

tert-butyl N-[3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propyl]carbamate (PubChem CID 113261110) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is tert-butyl N-[3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propyl]carbamate
PubChem CID113261110
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nametert-butyl N-[3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propyl]carbamate
SMILESCc1c(C(C)NCCCNC(=O)OC(C)(C)C)oc2ccccc12
InChIInChI=1S/C19H28N2O3/c1-13-15-9-6-7-10-16(15)23-17(13)14(2)20-11-8-12-21-18(22)24-19(3,4)5/h6-7,9-10,14,20H,8,11-12H2,1-5H3,(H,21,22)
InChIKeyVPMKDNLWSSFHND-UHFFFAOYSA-N
XLogP4.31
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 43754997
tert-butyl N-[3-[[N'-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]carbamimidoyl]amino]propyl]carbamate
CID 111603829
2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]-N-propylacetamide
CID 43777777
N-(2-methoxyethyl)-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide
CID 115707962
2-[2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol
CID 43771437
N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide
CID 43777697
tert-butyl N-[3-[1-(2-methylphenyl)propan-2-ylamino]propyl]carbamate
CID 103781124
N-methyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide
CID 102676059
(1S)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 124571843
2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]prop-2-en-1-amine
CID 104578826
tert-butyl N-[3-[1-[4-(dimethylamino)phenyl]ethylamino]propyl]carbamate
CID 103781090
(2S)-2-amino-3,3-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide
CID 119737273

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propyl]carbamate (CID 113261110) is tert-butyl N-[3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propyl]carbamate is Cc1c(C(C)NCCCNC(=O)OC(C)(C)C)oc2ccccc12.
What is the InChIKey of tert-butyl N-[3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propyl]carbamate?
The InChIKey is VPMKDNLWSSFHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-13-15-9-6-7-10-16(15)23-17(13)14(2)20-11-8-12-21-18(22)24-19(3,4)5/h6-7,9-10,14,20H,8,11-12H2,1-5H3,(H,21,22).
What are the key properties of tert-butyl N-[3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propyl]carbamate?
tert-butyl N-[3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propyl]carbamate has a molecular weight of 332.44 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propyl]carbamate is sourced from PubChem (CID 113261110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).