N-propan-2-yl-3-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]propanamide

C14H25N3O — CID 66405145

IUPACN-propan-2-yl-3-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]propanamide
SMILESCC(C)NCc1ccn(CCC(=O)NC(C)C)c1
InChIInChI=1S/C14H25N3O/c1-11(2)15-9-13-5-7-17(10-13)8-6-14(18)16-12(3)4/h5,7,10-12,15H,6,8-9H2,1-4H3,(H,16,18)
InChIKeyHULRKTAOCYHQSR-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.90
Rot. Bonds7

About N-propan-2-yl-3-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]propanamide

N-propan-2-yl-3-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]propanamide (PubChem CID 66405145) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-propan-2-yl-3-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]propanamide.

Molecular Properties

Compound NameN-propan-2-yl-3-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]propanamide
PubChem CID66405145
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-propan-2-yl-3-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]propanamide
SMILESCC(C)NCc1ccn(CCC(=O)NC(C)C)c1
InChIInChI=1S/C14H25N3O/c1-11(2)15-9-13-5-7-17(10-13)8-6-14(18)16-12(3)4/h5,7,10-12,15H,6,8-9H2,1-4H3,(H,16,18)
InChIKeyHULRKTAOCYHQSR-UHFFFAOYSA-N
XLogP1.90
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylpropanamide
CID 66405366
N-pentan-2-yl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide
CID 66403928
N-tert-butyl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide
CID 66403930
N-[[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]methyl]propan-2-amine
CID 106455297
N-(2-cyanoethyl)-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide
CID 66406984
2-[3-(aminomethyl)pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66407322
N-butan-2-yl-3-[(1-propylpyrrol-3-yl)methylamino]propanamide
CID 66415755
N,N-diethyl-2-[(1-propylpyrrol-3-yl)methylamino]propanamide
CID 66413975
N-cyclopropyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide
CID 66405210
N-[[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine
CID 66405552
(2R)-N-methyl-2-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 103872075
N-cyclopropyl-3-[3-(ethylaminomethyl)pyrrol-1-yl]propanamide
CID 66404307

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]propanamide?
The IUPAC name of N-propan-2-yl-3-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]propanamide (CID 66405145) is N-propan-2-yl-3-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]propanamide.
What is the SMILES notation for N-propan-2-yl-3-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]propanamide?
The canonical SMILES for N-propan-2-yl-3-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]propanamide is CC(C)NCc1ccn(CCC(=O)NC(C)C)c1.
What is the InChIKey of N-propan-2-yl-3-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]propanamide?
The InChIKey is HULRKTAOCYHQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(2)15-9-13-5-7-17(10-13)8-6-14(18)16-12(3)4/h5,7,10-12,15H,6,8-9H2,1-4H3,(H,16,18).
What are the key properties of N-propan-2-yl-3-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]propanamide?
N-propan-2-yl-3-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]propanamide has a molecular weight of 251.37 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]propanamide is sourced from PubChem (CID 66405145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).