N-butan-2-yl-3-[(1-propylpyrrol-3-yl)methylamino]propanamide

C15H27N3O — CID 66415755

IUPACN-butan-2-yl-3-[(1-propylpyrrol-3-yl)methylamino]propanamide
SMILESCCCn1ccc(CNCCC(=O)NC(C)CC)c1
InChIInChI=1S/C15H27N3O/c1-4-9-18-10-7-14(12-18)11-16-8-6-15(19)17-13(3)5-2/h7,10,12-13,16H,4-6,8-9,11H2,1-3H3,(H,17,19)
InChIKeyMIVPKEZORWGURZ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.29
Rot. Bonds9

About N-butan-2-yl-3-[(1-propylpyrrol-3-yl)methylamino]propanamide

N-butan-2-yl-3-[(1-propylpyrrol-3-yl)methylamino]propanamide (PubChem CID 66415755) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-butan-2-yl-3-[(1-propylpyrrol-3-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(1-propylpyrrol-3-yl)methylamino]propanamide
PubChem CID66415755
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-butan-2-yl-3-[(1-propylpyrrol-3-yl)methylamino]propanamide
SMILESCCCn1ccc(CNCCC(=O)NC(C)CC)c1
InChIInChI=1S/C15H27N3O/c1-4-9-18-10-7-14(12-18)11-16-8-6-15(19)17-13(3)5-2/h7,10,12-13,16H,4-6,8-9,11H2,1-3H3,(H,17,19)
InChIKeyMIVPKEZORWGURZ-UHFFFAOYSA-N
XLogP2.29
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-3-[(4-chlorophenyl)methylamino]propanamide
CID 54893832
2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine
CID 66416750
N-butan-2-yl-3-[(4-methylsulfanylphenyl)methylamino]propanamide
CID 54893410
1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol
CID 66398623
3-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide
CID 66397923
2-methyl-5-[(1-propylpyrrol-3-yl)methylamino]pentan-1-ol
CID 103527583
N-butan-2-yl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 60956727
N-propan-2-yl-3-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]propanamide
CID 66405145
N-butan-2-yl-3-[(3,4-dimethoxyphenyl)methylamino]propanamide
CID 60956837
4-[[[3-(butan-2-ylamino)-3-oxopropyl]amino]methyl]-2-fluorobenzoic acid
CID 106699780
3-[(1-propylpyrrol-3-yl)methylamino]propanenitrile
CID 66399043
3-[(5-bromothiophen-3-yl)methylamino]-N-butan-2-ylpropanamide
CID 54893334

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(1-propylpyrrol-3-yl)methylamino]propanamide?
The IUPAC name of N-butan-2-yl-3-[(1-propylpyrrol-3-yl)methylamino]propanamide (CID 66415755) is N-butan-2-yl-3-[(1-propylpyrrol-3-yl)methylamino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[(1-propylpyrrol-3-yl)methylamino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[(1-propylpyrrol-3-yl)methylamino]propanamide is CCCn1ccc(CNCCC(=O)NC(C)CC)c1.
What is the InChIKey of N-butan-2-yl-3-[(1-propylpyrrol-3-yl)methylamino]propanamide?
The InChIKey is MIVPKEZORWGURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-9-18-10-7-14(12-18)11-16-8-6-15(19)17-13(3)5-2/h7,10,12-13,16H,4-6,8-9,11H2,1-3H3,(H,17,19).
What are the key properties of N-butan-2-yl-3-[(1-propylpyrrol-3-yl)methylamino]propanamide?
N-butan-2-yl-3-[(1-propylpyrrol-3-yl)methylamino]propanamide has a molecular weight of 265.40 g/mol, XLogP of 2.29, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(1-propylpyrrol-3-yl)methylamino]propanamide is sourced from PubChem (CID 66415755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).