N-propan-2-yl-2-(1H-pyrrol-2-ylmethylamino)acetamide

C10H17N3O — CID 60664312

IUPACN-propan-2-yl-2-(1H-pyrrol-2-ylmethylamino)acetamide
SMILESCC(C)NC(=O)CNCc1ccc[nH]1
InChIInChI=1S/C10H17N3O/c1-8(2)13-10(14)7-11-6-9-4-3-5-12-9/h3-5,8,11-12H,6-7H2,1-2H3,(H,13,14)
InChIKeyZJEUEBKBOGABJD-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.63
Rot. Bonds5

About N-propan-2-yl-2-(1H-pyrrol-2-ylmethylamino)acetamide

N-propan-2-yl-2-(1H-pyrrol-2-ylmethylamino)acetamide (PubChem CID 60664312) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-propan-2-yl-2-(1H-pyrrol-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(1H-pyrrol-2-ylmethylamino)acetamide
PubChem CID60664312
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-propan-2-yl-2-(1H-pyrrol-2-ylmethylamino)acetamide
SMILESCC(C)NC(=O)CNCc1ccc[nH]1
InChIInChI=1S/C10H17N3O/c1-8(2)13-10(14)7-11-6-9-4-3-5-12-9/h3-5,8,11-12H,6-7H2,1-2H3,(H,13,14)
InChIKeyZJEUEBKBOGABJD-UHFFFAOYSA-N
XLogP0.63
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-N-(1H-pyrrol-2-ylmethyl)acetamide
CID 115157893
N-propan-2-yl-2-(1H-pyrazol-5-ylmethylamino)acetamide
CID 43662596
2-methyl-N-(1H-pyrrol-2-ylmethyl)propanamide
CID 110374909
N-propan-2-yl-3-(1H-pyrrol-2-ylmethylamino)benzamide
CID 62329239
4-amino-N-(1H-pyrrol-2-ylmethyl)pentanamide
CID 115156710
2-[(2,3-dihydroxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 61318874
N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide
CID 126500406
tert-butyl N-[3-methyl-1-(1H-pyrrol-2-ylmethylamino)butan-2-yl]carbamate
CID 103578618
4-methyl-N-(1H-pyrrol-2-ylmethyl)pentan-1-amine
CID 62339578
2,3,3-trimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine
CID 83142379
(2R)-N-propan-2-yl-2-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]propanamide
CID 100622097
N-(1H-pyrrol-2-ylmethyl)-2-sulfanylacetamide
CID 115167176

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(1H-pyrrol-2-ylmethylamino)acetamide?
The IUPAC name of N-propan-2-yl-2-(1H-pyrrol-2-ylmethylamino)acetamide (CID 60664312) is N-propan-2-yl-2-(1H-pyrrol-2-ylmethylamino)acetamide.
What is the SMILES notation for N-propan-2-yl-2-(1H-pyrrol-2-ylmethylamino)acetamide?
The canonical SMILES for N-propan-2-yl-2-(1H-pyrrol-2-ylmethylamino)acetamide is CC(C)NC(=O)CNCc1ccc[nH]1.
What is the InChIKey of N-propan-2-yl-2-(1H-pyrrol-2-ylmethylamino)acetamide?
The InChIKey is ZJEUEBKBOGABJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(2)13-10(14)7-11-6-9-4-3-5-12-9/h3-5,8,11-12H,6-7H2,1-2H3,(H,13,14).
What are the key properties of N-propan-2-yl-2-(1H-pyrrol-2-ylmethylamino)acetamide?
N-propan-2-yl-2-(1H-pyrrol-2-ylmethylamino)acetamide has a molecular weight of 195.27 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(1H-pyrrol-2-ylmethylamino)acetamide is sourced from PubChem (CID 60664312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).