N,2,2-trimethyl-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanamide

C14H22N2O2 — CID 103096687

IUPACN,2,2-trimethyl-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanamide
SMILESCNC(=O)C(C)(C)CNC1CCCc2occc21
InChIInChI=1S/C14H22N2O2/c1-14(2,13(17)15-3)9-16-11-5-4-6-12-10(11)7-8-18-12/h7-8,11,16H,4-6,9H2,1-3H3,(H,15,17)
InChIKeySSETUXBPXWEVES-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.02
Rot. Bonds4

About N,2,2-trimethyl-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanamide

N,2,2-trimethyl-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanamide (PubChem CID 103096687) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N,2,2-trimethyl-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanamide
PubChem CID103096687
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN,2,2-trimethyl-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanamide
SMILESCNC(=O)C(C)(C)CNC1CCCc2occc21
InChIInChI=1S/C14H22N2O2/c1-14(2,13(17)15-3)9-16-11-5-4-6-12-10(11)7-8-18-12/h7-8,11,16H,4-6,9H2,1-3H3,(H,15,17)
InChIKeySSETUXBPXWEVES-UHFFFAOYSA-N
XLogP2.02
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxy-2-methylpropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 104759614
tert-butyl N-[2,2-difluoro-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propyl]carbamate
CID 107094040
N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466646
3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanoic acid
CID 115466058
N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466026
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)butanamide
CID 115466341
N-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 106290111
N-propyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide
CID 115466077
2-[4-[[[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]amino]methyl]phenyl]propan-2-ol
CID 129402709
N-[(5-tert-butylthiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 81499013
4-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 104964092
tert-butyl N-[1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cyclobutyl]carbamate
CID 107093993

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanamide?
The IUPAC name of N,2,2-trimethyl-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanamide (CID 103096687) is N,2,2-trimethyl-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanamide.
What is the SMILES notation for N,2,2-trimethyl-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanamide?
The canonical SMILES for N,2,2-trimethyl-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanamide is CNC(=O)C(C)(C)CNC1CCCc2occc21.
What is the InChIKey of N,2,2-trimethyl-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanamide?
The InChIKey is SSETUXBPXWEVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,13(17)15-3)9-16-11-5-4-6-12-10(11)7-8-18-12/h7-8,11,16H,4-6,9H2,1-3H3,(H,15,17).
What are the key properties of N,2,2-trimethyl-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanamide?
N,2,2-trimethyl-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanamide has a molecular weight of 250.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanamide is sourced from PubChem (CID 103096687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).