7-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]heptanamide

C14H24N2O2 — CID 43514689

IUPAC7-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]heptanamide
SMILESCc1ccc(CN(C)C(=O)CCCCCCN)o1
InChIInChI=1S/C14H24N2O2/c1-12-8-9-13(18-12)11-16(2)14(17)7-5-3-4-6-10-15/h8-9H,3-7,10-11,15H2,1-2H3
InChIKeyJTFMOAUQRVUKMM-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.46
Rot. Bonds8

About 7-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]heptanamide

7-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]heptanamide (PubChem CID 43514689) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 7-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]heptanamide
PubChem CID43514689
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name7-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]heptanamide
SMILESCc1ccc(CN(C)C(=O)CCCCCCN)o1
InChIInChI=1S/C14H24N2O2/c1-12-8-9-13(18-12)11-16(2)14(17)7-5-3-4-6-10-15/h8-9H,3-7,10-11,15H2,1-2H3
InChIKeyJTFMOAUQRVUKMM-UHFFFAOYSA-N
XLogP2.46
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 115173902
2-[4-(aminomethyl)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 63590309
3-(4-ethylphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 78794973
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 60852335
7-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]heptanamide
CID 61426506
7-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide;hydrochloride
CID 119773733
3-(2-aminophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61093438
tert-butyl 4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-oxobutanoate
CID 106707019
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
7-amino-N-[(4-methoxyphenyl)methyl]-N-methylheptanamide
CID 60937309
4-amino-3-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride
CID 120597638
3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 115192836

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]heptanamide?
The IUPAC name of 7-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]heptanamide (CID 43514689) is 7-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]heptanamide.
What is the SMILES notation for 7-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]heptanamide?
The canonical SMILES for 7-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]heptanamide is Cc1ccc(CN(C)C(=O)CCCCCCN)o1.
What is the InChIKey of 7-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]heptanamide?
The InChIKey is JTFMOAUQRVUKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-12-8-9-13(18-12)11-16(2)14(17)7-5-3-4-6-10-15/h8-9H,3-7,10-11,15H2,1-2H3.
What are the key properties of 7-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]heptanamide?
7-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]heptanamide has a molecular weight of 252.36 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]heptanamide is sourced from PubChem (CID 43514689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).