3-(propan-2-ylamino)-N-(1H-pyrrol-3-ylmethyl)propanamide

C11H19N3O — CID 106384947

IUPAC3-(propan-2-ylamino)-N-(1H-pyrrol-3-ylmethyl)propanamide
SMILESCC(C)NCCC(=O)NCc1cc[nH]c1
InChIInChI=1S/C11H19N3O/c1-9(2)13-6-4-11(15)14-8-10-3-5-12-7-10/h3,5,7,9,12-13H,4,6,8H2,1-2H3,(H,14,15)
InChIKeyKDFCCXDZNQYDAV-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.02
Rot. Bonds6

About 3-(propan-2-ylamino)-N-(1H-pyrrol-3-ylmethyl)propanamide

3-(propan-2-ylamino)-N-(1H-pyrrol-3-ylmethyl)propanamide (PubChem CID 106384947) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(propan-2-ylamino)-N-(1H-pyrrol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(propan-2-ylamino)-N-(1H-pyrrol-3-ylmethyl)propanamide
PubChem CID106384947
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-(propan-2-ylamino)-N-(1H-pyrrol-3-ylmethyl)propanamide
SMILESCC(C)NCCC(=O)NCc1cc[nH]c1
InChIInChI=1S/C11H19N3O/c1-9(2)13-6-4-11(15)14-8-10-3-5-12-7-10/h3,5,7,9,12-13H,4,6,8H2,1-2H3,(H,14,15)
InChIKeyKDFCCXDZNQYDAV-UHFFFAOYSA-N
XLogP1.02
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60852513
N-[(4-methylphenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60853234
N-[(4-ethylphenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 103795066
N-(1H-pyrrol-3-ylmethyl)propanamide
CID 110782638
3-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385639
N-[3-oxo-3-(1H-pyrrol-3-ylmethylamino)propyl]furan-2-carboxamide
CID 106385845
5-bromo-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 106384569
N-(1H-pyrrol-3-ylmethyl)pent-4-ynamide
CID 106385371
7-amino-N-(1H-pyrrol-3-ylmethyl)heptanamide
CID 106384846
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385438
(2S)-2-amino-4-methyl-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 106384795
3-(2,2-difluoroethoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385366

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)-N-(1H-pyrrol-3-ylmethyl)propanamide?
The IUPAC name of 3-(propan-2-ylamino)-N-(1H-pyrrol-3-ylmethyl)propanamide (CID 106384947) is 3-(propan-2-ylamino)-N-(1H-pyrrol-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(propan-2-ylamino)-N-(1H-pyrrol-3-ylmethyl)propanamide?
The canonical SMILES for 3-(propan-2-ylamino)-N-(1H-pyrrol-3-ylmethyl)propanamide is CC(C)NCCC(=O)NCc1cc[nH]c1.
What is the InChIKey of 3-(propan-2-ylamino)-N-(1H-pyrrol-3-ylmethyl)propanamide?
The InChIKey is KDFCCXDZNQYDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(2)13-6-4-11(15)14-8-10-3-5-12-7-10/h3,5,7,9,12-13H,4,6,8H2,1-2H3,(H,14,15).
What are the key properties of 3-(propan-2-ylamino)-N-(1H-pyrrol-3-ylmethyl)propanamide?
3-(propan-2-ylamino)-N-(1H-pyrrol-3-ylmethyl)propanamide has a molecular weight of 209.29 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)-N-(1H-pyrrol-3-ylmethyl)propanamide is sourced from PubChem (CID 106384947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).