N-[2-[methyl-[[1-(4-methylphenyl)cyclobutyl]methyl]amino]ethyl]formamide

C16H24N2O — CID 142833148

IUPACN-[2-[methyl-[[1-(4-methylphenyl)cyclobutyl]methyl]amino]ethyl]formamide
SMILESCc1ccc(C2(CN(C)CCNC=O)CCC2)cc1
InChIInChI=1S/C16H24N2O/c1-14-4-6-15(7-5-14)16(8-3-9-16)12-18(2)11-10-17-13-19/h4-7,13H,3,8-12H2,1-2H3,(H,17,19)
InChIKeySRHGRPRNOKVAGQ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.09
Rot. Bonds7

About N-[2-[methyl-[[1-(4-methylphenyl)cyclobutyl]methyl]amino]ethyl]formamide

N-[2-[methyl-[[1-(4-methylphenyl)cyclobutyl]methyl]amino]ethyl]formamide (PubChem CID 142833148) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[2-[methyl-[[1-(4-methylphenyl)cyclobutyl]methyl]amino]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[methyl-[[1-(4-methylphenyl)cyclobutyl]methyl]amino]ethyl]formamide
PubChem CID142833148
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[2-[methyl-[[1-(4-methylphenyl)cyclobutyl]methyl]amino]ethyl]formamide
SMILESCc1ccc(C2(CN(C)CCNC=O)CCC2)cc1
InChIInChI=1S/C16H24N2O/c1-14-4-6-15(7-5-14)16(8-3-9-16)12-18(2)11-10-17-13-19/h4-7,13H,3,8-12H2,1-2H3,(H,17,19)
InChIKeySRHGRPRNOKVAGQ-UHFFFAOYSA-N
XLogP2.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1-[1-(4-methylphenyl)cyclobutyl]methanamine
CID 59020082
N,N-dimethyl-1-[1-(4-methylphenyl)cyclopentyl]methanamine
CID 21365310
N-methyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]ethanamine
CID 59019765
N-methyl-N-[[1-(4-methylphenyl)cyclopentyl]methyl]acetamide
CID 59019943
ethane;N-methyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]methanesulfonamide
CID 142832998
N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methylpentan-1-amine
CID 123183456
N-ethyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]ethanamine
CID 59019776
N-[2-[methyl-[2-(3-methylphenyl)ethyl]amino]ethyl]formamide
CID 142389999
N,N-dimethyl-1-[4-(4-methylphenyl)oxan-4-yl]methanamine
CID 59837374
2-methyl-6-[[1-(4-methylphenyl)cyclobutyl]methylamino]hexan-1-ol
CID 142125069
1-[1-(4-bromophenyl)cyclobutyl]-N,N-dimethylmethanamine
CID 115049926
1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylmethanamine
CID 169436266

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl-[[1-(4-methylphenyl)cyclobutyl]methyl]amino]ethyl]formamide?
The IUPAC name of N-[2-[methyl-[[1-(4-methylphenyl)cyclobutyl]methyl]amino]ethyl]formamide (CID 142833148) is N-[2-[methyl-[[1-(4-methylphenyl)cyclobutyl]methyl]amino]ethyl]formamide.
What is the SMILES notation for N-[2-[methyl-[[1-(4-methylphenyl)cyclobutyl]methyl]amino]ethyl]formamide?
The canonical SMILES for N-[2-[methyl-[[1-(4-methylphenyl)cyclobutyl]methyl]amino]ethyl]formamide is Cc1ccc(C2(CN(C)CCNC=O)CCC2)cc1.
What is the InChIKey of N-[2-[methyl-[[1-(4-methylphenyl)cyclobutyl]methyl]amino]ethyl]formamide?
The InChIKey is SRHGRPRNOKVAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-14-4-6-15(7-5-14)16(8-3-9-16)12-18(2)11-10-17-13-19/h4-7,13H,3,8-12H2,1-2H3,(H,17,19).
What are the key properties of N-[2-[methyl-[[1-(4-methylphenyl)cyclobutyl]methyl]amino]ethyl]formamide?
N-[2-[methyl-[[1-(4-methylphenyl)cyclobutyl]methyl]amino]ethyl]formamide has a molecular weight of 260.38 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl-[[1-(4-methylphenyl)cyclobutyl]methyl]amino]ethyl]formamide is sourced from PubChem (CID 142833148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).