N-cyclohexyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide

C16H25N3O — CID 66404977

IUPACN-cyclohexyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide
SMILESO=C(Cn1ccc(CNC2CC2)c1)NC1CCCCC1
InChIInChI=1S/C16H25N3O/c20-16(18-15-4-2-1-3-5-15)12-19-9-8-13(11-19)10-17-14-6-7-14/h8-9,11,14-15,17H,1-7,10,12H2,(H,18,20)
InChIKeyVWVBMCVHEJSALJ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.19
Rot. Bonds6

About N-cyclohexyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide

N-cyclohexyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide (PubChem CID 66404977) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide
PubChem CID66404977
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-cyclohexyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide
SMILESO=C(Cn1ccc(CNC2CC2)c1)NC1CCCCC1
InChIInChI=1S/C16H25N3O/c20-16(18-15-4-2-1-3-5-15)12-19-9-8-13(11-19)10-17-14-6-7-14/h8-9,11,14-15,17H,1-7,10,12H2,(H,18,20)
InChIKeyVWVBMCVHEJSALJ-UHFFFAOYSA-N
XLogP2.19
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide
CID 66405369
N-cyclopropyl-2-[3-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66406741
2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide
CID 66404151
methyl 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetate
CID 66404148
3-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylpropanamide
CID 66405366
N-cyclopentyl-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79099453
2-[3,4-bis(tert-butylsulfamoyl)pyrrol-1-yl]-N-cyclohexylacetamide
CID 20927507
N-cyclopropyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide
CID 66405210
N-cycloheptyl-2-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)acetamide
CID 83206156
2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-cycloheptylacetamide
CID 103961997
N-cyclohexyl-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
CID 53111836
2-(benzylamino)-N-cyclohexylacetamide
CID 19163991

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide (CID 66404977) is N-cyclohexyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide is O=C(Cn1ccc(CNC2CC2)c1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide?
The InChIKey is VWVBMCVHEJSALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c20-16(18-15-4-2-1-3-5-15)12-19-9-8-13(11-19)10-17-14-6-7-14/h8-9,11,14-15,17H,1-7,10,12H2,(H,18,20).
What are the key properties of N-cyclohexyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide?
N-cyclohexyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide has a molecular weight of 275.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 66404977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).