N-[(3-bromocyclobutyl)methyl]-1-ethyl-N-methylcyclopentane-1-carboxamide

C14H24BrNO — CID 80672991

IUPACN-[(3-bromocyclobutyl)methyl]-1-ethyl-N-methylcyclopentane-1-carboxamide
SMILESCCC1(C(=O)N(C)CC2CC(Br)C2)CCCC1
InChIInChI=1S/C14H24BrNO/c1-3-14(6-4-5-7-14)13(17)16(2)10-11-8-12(15)9-11/h11-12H,3-10H2,1-2H3
InChIKeyYXLKRIBDGKGGFK-UHFFFAOYSA-N
MW302.26 g/mol
LogP3.59
Rot. Bonds4

About N-[(3-bromocyclobutyl)methyl]-1-ethyl-N-methylcyclopentane-1-carboxamide

N-[(3-bromocyclobutyl)methyl]-1-ethyl-N-methylcyclopentane-1-carboxamide (PubChem CID 80672991) has the molecular formula C14H24BrNO and a molecular weight of 302.26 g/mol. Its IUPAC name is N-[(3-bromocyclobutyl)methyl]-1-ethyl-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-bromocyclobutyl)methyl]-1-ethyl-N-methylcyclopentane-1-carboxamide
PubChem CID80672991
Molecular FormulaC14H24BrNO
Molecular Weight302.26 g/mol
Exact Mass301.10
IUPAC NameN-[(3-bromocyclobutyl)methyl]-1-ethyl-N-methylcyclopentane-1-carboxamide
SMILESCCC1(C(=O)N(C)CC2CC(Br)C2)CCCC1
InChIInChI=1S/C14H24BrNO/c1-3-14(6-4-5-7-14)13(17)16(2)10-11-8-12(15)9-11/h11-12H,3-10H2,1-2H3
InChIKeyYXLKRIBDGKGGFK-UHFFFAOYSA-N
XLogP3.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-bromocyclobutyl)methyl]-N,1-dimethylcyclopentane-1-carboxamide
CID 80672586
N-(2-bromopropyl)-1-ethyl-N-methylcyclopentane-1-carboxamide
CID 80665189
1-(aminomethyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 80598806
N-(cyclobutylmethyl)-3-ethyl-N-methylpyrrolidine-3-carboxamide
CID 63142224
N-[(3-bromocyclobutyl)methyl]-N,2,2-trimethylpropanamide
CID 80675907
3-ethyl-N-methyl-N-(oxan-3-ylmethyl)piperidine-3-carboxamide
CID 63711654
1-(aminomethyl)-N-(cyclopentylmethyl)-N-methylcyclopropane-1-carboxamide
CID 80598771
1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide
CID 63236819
N-(1-bromopropan-2-yl)-1-ethyl-N-methylcyclopentane-1-carboxamide
CID 104556120
1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide
CID 63713295
N-(cyclohexylmethyl)-N-methyl-4-propylpiperidine-4-carboxamide
CID 63128373
N-[(3-hydroxycyclobutyl)methyl]-N,2-dimethylpiperidine-2-carboxamide
CID 104596944

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclobutyl)methyl]-1-ethyl-N-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[(3-bromocyclobutyl)methyl]-1-ethyl-N-methylcyclopentane-1-carboxamide (CID 80672991) is N-[(3-bromocyclobutyl)methyl]-1-ethyl-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(3-bromocyclobutyl)methyl]-1-ethyl-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(3-bromocyclobutyl)methyl]-1-ethyl-N-methylcyclopentane-1-carboxamide is CCC1(C(=O)N(C)CC2CC(Br)C2)CCCC1.
What is the InChIKey of N-[(3-bromocyclobutyl)methyl]-1-ethyl-N-methylcyclopentane-1-carboxamide?
The InChIKey is YXLKRIBDGKGGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNO/c1-3-14(6-4-5-7-14)13(17)16(2)10-11-8-12(15)9-11/h11-12H,3-10H2,1-2H3.
What are the key properties of N-[(3-bromocyclobutyl)methyl]-1-ethyl-N-methylcyclopentane-1-carboxamide?
N-[(3-bromocyclobutyl)methyl]-1-ethyl-N-methylcyclopentane-1-carboxamide has a molecular weight of 302.26 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclobutyl)methyl]-1-ethyl-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 80672991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).