N-[2-(2-hydroxypropylamino)ethyl]-1-propylpyrrole-2-carboxamide

C13H23N3O2 — CID 104593851

IUPACN-[2-(2-hydroxypropylamino)ethyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)NCCNCC(C)O
InChIInChI=1S/C13H23N3O2/c1-3-8-16-9-4-5-12(16)13(18)15-7-6-14-10-11(2)17/h4-5,9,11,14,17H,3,6-8,10H2,1-2H3,(H,15,18)
InChIKeyYSRANKJBMCUPKJ-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.60
Rot. Bonds8

About N-[2-(2-hydroxypropylamino)ethyl]-1-propylpyrrole-2-carboxamide

N-[2-(2-hydroxypropylamino)ethyl]-1-propylpyrrole-2-carboxamide (PubChem CID 104593851) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[2-(2-hydroxypropylamino)ethyl]-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropylamino)ethyl]-1-propylpyrrole-2-carboxamide
PubChem CID104593851
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-[2-(2-hydroxypropylamino)ethyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)NCCNCC(C)O
InChIInChI=1S/C13H23N3O2/c1-3-8-16-9-4-5-12(16)13(18)15-7-6-14-10-11(2)17/h4-5,9,11,14,17H,3,6-8,10H2,1-2H3,(H,15,18)
InChIKeyYSRANKJBMCUPKJ-UHFFFAOYSA-N
XLogP0.60
TPSA66.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 66176682
1-cyclobutyl-N-[2-(2-hydroxypropylamino)ethyl]pyrrole-2-carboxamide
CID 114610660
2-methoxy-3-[(1-propylpyrrole-2-carbonyl)amino]propanoic acid
CID 106108154
2-[2-[(1-propylpyrrole-2-carbonyl)amino]ethoxy]acetic acid
CID 79456778
1-propan-2-yl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide
CID 55100628
N-[(2-hydroxyphenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 114332469
N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzamide
CID 113430408
N-(3-hydroxy-2,2-dimethylpropyl)-1-propylpyrrole-2-carboxamide
CID 113294516
1-benzyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83029854
3-[(1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 62676590
1-[[(1-propylpyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449375
5-[(1-ethylpyrrole-2-carbonyl)amino]-2-methylpentanoic acid
CID 104681684

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-1-propylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-1-propylpyrrole-2-carboxamide (CID 104593851) is N-[2-(2-hydroxypropylamino)ethyl]-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxypropylamino)ethyl]-1-propylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(2-hydroxypropylamino)ethyl]-1-propylpyrrole-2-carboxamide is CCCn1cccc1C(=O)NCCNCC(C)O.
What is the InChIKey of N-[2-(2-hydroxypropylamino)ethyl]-1-propylpyrrole-2-carboxamide?
The InChIKey is YSRANKJBMCUPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-8-16-9-4-5-12(16)13(18)15-7-6-14-10-11(2)17/h4-5,9,11,14,17H,3,6-8,10H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(2-hydroxypropylamino)ethyl]-1-propylpyrrole-2-carboxamide?
N-[2-(2-hydroxypropylamino)ethyl]-1-propylpyrrole-2-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.60, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropylamino)ethyl]-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 104593851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).