N-[[2-(cycloheptylamino)phenyl]methyl]-N-methylacetamide

C17H26N2O — CID 43692065

IUPACN-[[2-(cycloheptylamino)phenyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1ccccc1NC1CCCCCC1
InChIInChI=1S/C17H26N2O/c1-14(20)19(2)13-15-9-7-8-12-17(15)18-16-10-5-3-4-6-11-16/h7-9,12,16,18H,3-6,10-11,13H2,1-2H3
InChIKeyFSZCNLVOLUFXRD-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.80
Rot. Bonds4

About N-[[2-(cycloheptylamino)phenyl]methyl]-N-methylacetamide

N-[[2-(cycloheptylamino)phenyl]methyl]-N-methylacetamide (PubChem CID 43692065) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[2-(cycloheptylamino)phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[2-(cycloheptylamino)phenyl]methyl]-N-methylacetamide
PubChem CID43692065
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[[2-(cycloheptylamino)phenyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1ccccc1NC1CCCCCC1
InChIInChI=1S/C17H26N2O/c1-14(20)19(2)13-15-9-7-8-12-17(15)18-16-10-5-3-4-6-11-16/h7-9,12,16,18H,3-6,10-11,13H2,1-2H3
InChIKeyFSZCNLVOLUFXRD-UHFFFAOYSA-N
XLogP3.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(4-hydroxycyclohexyl)amino]phenyl]methyl]-N-methylacetamide
CID 106593826
N-methyl-N-[[2-[(3-methylcyclohexyl)amino]phenyl]methyl]acetamide
CID 43692073
N-methyl-N-[[2-[(1-methylpiperidin-4-yl)amino]phenyl]methyl]acetamide
CID 43692067
N-cyclohexyl-2-(diethylaminomethyl)aniline
CID 43729330
N-[2-(methoxymethyl)phenyl]cyclooctanamine
CID 43677867
N-[(2R)-1-[2-[[acetyl(methyl)amino]methyl]anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 94180749
N-[2-[[acetyl(methyl)amino]methyl]phenyl]piperidine-4-carboxamide
CID 43704943
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 60867454
N-[2-(ethoxymethyl)phenyl]cycloheptanamine
CID 43750302
1-N-cyclooctyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726463
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(cyclohexanecarbonylamino)benzamide
CID 32582405
N-[2-[(dimethylamino)methyl]phenyl]azepan-4-amine
CID 103981509

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cycloheptylamino)phenyl]methyl]-N-methylacetamide?
The IUPAC name of N-[[2-(cycloheptylamino)phenyl]methyl]-N-methylacetamide (CID 43692065) is N-[[2-(cycloheptylamino)phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[2-(cycloheptylamino)phenyl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[2-(cycloheptylamino)phenyl]methyl]-N-methylacetamide is CC(=O)N(C)Cc1ccccc1NC1CCCCCC1.
What is the InChIKey of N-[[2-(cycloheptylamino)phenyl]methyl]-N-methylacetamide?
The InChIKey is FSZCNLVOLUFXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14(20)19(2)13-15-9-7-8-12-17(15)18-16-10-5-3-4-6-11-16/h7-9,12,16,18H,3-6,10-11,13H2,1-2H3.
What are the key properties of N-[[2-(cycloheptylamino)phenyl]methyl]-N-methylacetamide?
N-[[2-(cycloheptylamino)phenyl]methyl]-N-methylacetamide has a molecular weight of 274.41 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cycloheptylamino)phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 43692065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).