7-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]heptanamide

C20H30N2O2 — CID 119782837

IUPAC7-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]heptanamide
SMILESCc1c(C(NC(=O)CCCCCCN)C(C)C)oc2ccccc12
InChIInChI=1S/C20H30N2O2/c1-14(2)19(22-18(23)12-6-4-5-9-13-21)20-15(3)16-10-7-8-11-17(16)24-20/h7-8,10-11,14,19H,4-6,9,12-13,21H2,1-3H3,(H,22,23)
InChIKeyPGTVOHUGFANSNZ-UHFFFAOYSA-N
MW330.47 g/mol
LogP4.46
Rot. Bonds9

About 7-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]heptanamide

7-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]heptanamide (PubChem CID 119782837) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 7-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]heptanamide
PubChem CID119782837
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name7-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]heptanamide
SMILESCc1c(C(NC(=O)CCCCCCN)C(C)C)oc2ccccc12
InChIInChI=1S/C20H30N2O2/c1-14(2)19(22-18(23)12-6-4-5-9-13-21)20-15(3)16-10-7-8-11-17(16)24-20/h7-8,10-11,14,19H,4-6,9,12-13,21H2,1-3H3,(H,22,23)
InChIKeyPGTVOHUGFANSNZ-UHFFFAOYSA-N
XLogP4.46
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]heptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide
CID 119323143
(2S)-2-(carbamoylamino)-N-[(1R)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide
CID 95328711
2-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]pentanamide;hydrochloride
CID 119323150
N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-2-methylsulfonylpropanamide
CID 56789337
7-amino-N-[1-(1-benzofuran-2-yl)ethyl]heptanamide
CID 43708933
1-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-3-(4-methylsulfonylphenyl)urea
CID 166532501
4-[[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122001879
N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide
CID 43777697
(2S)-2-amino-3,3-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide
CID 119737273
N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(oxan-4-yl)propanamide
CID 119048266
4-amino-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]butanamide;hydrochloride
CID 119272369
1-[(1S)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-3-(1-propan-2-ylpyrrolidin-3-yl)urea
CID 176854087

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]heptanamide?
The IUPAC name of 7-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]heptanamide (CID 119782837) is 7-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]heptanamide.
What is the SMILES notation for 7-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]heptanamide?
The canonical SMILES for 7-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]heptanamide is Cc1c(C(NC(=O)CCCCCCN)C(C)C)oc2ccccc12.
What is the InChIKey of 7-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]heptanamide?
The InChIKey is PGTVOHUGFANSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-14(2)19(22-18(23)12-6-4-5-9-13-21)20-15(3)16-10-7-8-11-17(16)24-20/h7-8,10-11,14,19H,4-6,9,12-13,21H2,1-3H3,(H,22,23).
What are the key properties of 7-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]heptanamide?
7-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]heptanamide has a molecular weight of 330.47 g/mol, XLogP of 4.46, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]heptanamide is sourced from PubChem (CID 119782837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).