4-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide

C15H26N4O2 — CID 61115969

IUPAC4-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1cc(N)cn1C(C)C
InChIInChI=1S/C15H26N4O2/c1-6-18(9-14(20)17-10(2)3)15(21)13-7-12(16)8-19(13)11(4)5/h7-8,10-11H,6,9,16H2,1-5H3,(H,17,20)
InChIKeyNHVKTBHGABFXGF-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.64
Rot. Bonds6

About 4-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide

4-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 61115969) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID61115969
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name4-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1cc(N)cn1C(C)C
InChIInChI=1S/C15H26N4O2/c1-6-18(9-14(20)17-10(2)3)15(21)13-7-12(16)8-19(13)11(4)5/h7-8,10-11H,6,9,16H2,1-5H3,(H,17,20)
InChIKeyNHVKTBHGABFXGF-UHFFFAOYSA-N
XLogP1.64
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 6602691
Anthelvencin A
CID 202542
N-propargyl-1H-pyrrole-2-carboxamide
CID 16110305
N-(3-amino-3-iminopropyl)-4-[[4-[[4-(2-bromoprop-2-enoylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 9917132
Distamin
CID 194211
N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-isopropyl-pyrrol-3-yl]-4-formamido-1-methyl-pyrrole-2-carboxamide
CID 3009864
N-cyclohexyl-1-methylpyrrole-2-carboxamide
CID 24978957
Netropsin dihydrochloride
CID 5351456
N-methyl-N-(prop-2-yn-1-yl)-1H-pyrrole-2-carboxamide
CID 11008237
N,1-dimethyl-N-(prop-2-yn-1-yl)-1H-pyrrole-2-carboxamide
CID 16110301

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide (CID 61115969) is 4-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide is CCN(CC(=O)NC(C)C)C(=O)c1cc(N)cn1C(C)C.
What is the InChIKey of 4-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is NHVKTBHGABFXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-6-18(9-14(20)17-10(2)3)15(21)13-7-12(16)8-19(13)11(4)5/h7-8,10-11H,6,9,16H2,1-5H3,(H,17,20).
What are the key properties of 4-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide?
4-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 61115969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).