N-[(5-bromofuran-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide

C12H17BrN2O2 — CID 54873279

IUPACN-[(5-bromofuran-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
SMILESCN(Cc1ccc(Br)o1)C(=O)CCNC1CC1
InChIInChI=1S/C12H17BrN2O2/c1-15(8-10-4-5-11(13)17-10)12(16)6-7-14-9-2-3-9/h4-5,9,14H,2-3,6-8H2,1H3
InChIKeyNYAFICJEPSPDPO-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.14
Rot. Bonds6

About N-[(5-bromofuran-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide

N-[(5-bromofuran-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide (PubChem CID 54873279) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
PubChem CID54873279
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
SMILESCN(Cc1ccc(Br)o1)C(=O)CCNC1CC1
InChIInChI=1S/C12H17BrN2O2/c1-15(8-10-4-5-11(13)17-10)12(16)6-7-14-9-2-3-9/h4-5,9,14H,2-3,6-8H2,1H3
InChIKeyNYAFICJEPSPDPO-UHFFFAOYSA-N
XLogP2.14
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromofuran-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide 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

N-[(5-bromofuran-2-yl)methyl]-3-chloro-N-methylpropanamide
CID 60949729
3-[(5-bromofuran-2-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62232100
N-[(4-tert-butylphenyl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
CID 60937202
6-amino-N-[(5-bromofuran-2-yl)methyl]-N,4,4-trimethylhexanamide
CID 65292328
N-cyclopropyl-3-(cyclopropylamino)-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 54871938
N-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
CID 54869433
3-(cyclopropylamino)-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 60954282
3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpropanamide
CID 60936891
1-[(5-bromofuran-2-yl)methyl]-1-methylurea
CID 131134231
3-(cyclopropylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylpropanamide
CID 54872645
3-amino-N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylbutanamide
CID 64676727
N-[(2-bromophenyl)methyl]-N-methyl-3-(thian-4-ylamino)propanamide
CID 119128773

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide (CID 54873279) is N-[(5-bromofuran-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide is CN(Cc1ccc(Br)o1)C(=O)CCNC1CC1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide?
The InChIKey is NYAFICJEPSPDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-15(8-10-4-5-11(13)17-10)12(16)6-7-14-9-2-3-9/h4-5,9,14H,2-3,6-8H2,1H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide?
N-[(5-bromofuran-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide has a molecular weight of 301.18 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide is sourced from PubChem (CID 54873279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).