N-(2-amino-2-ethylbutyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide

C14H24ClN3O — CID 115305800

IUPACN-(2-amino-2-ethylbutyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1cc(Cl)cn1C(C)C
InChIInChI=1S/C14H24ClN3O/c1-5-14(16,6-2)9-17-13(19)12-7-11(15)8-18(12)10(3)4/h7-8,10H,5-6,9,16H2,1-4H3,(H,17,19)
InChIKeyNNMCWJHBWHAGEI-UHFFFAOYSA-N
MW285.82 g/mol
LogP2.97
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide

N-(2-amino-2-ethylbutyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 115305800) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID115305800
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC NameN-(2-amino-2-ethylbutyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1cc(Cl)cn1C(C)C
InChIInChI=1S/C14H24ClN3O/c1-5-14(16,6-2)9-17-13(19)12-7-11(15)8-18(12)10(3)4/h7-8,10H,5-6,9,16H2,1-4H3,(H,17,19)
InChIKeyNNMCWJHBWHAGEI-UHFFFAOYSA-N
XLogP2.97
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-4-chloro-1-methylpyrrole-2-carboxamide
CID 81484909
4-chloro-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62659651
4-chloro-1-propan-2-yl-N-prop-2-ynylpyrrole-2-carboxamide
CID 61345032
4-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-propan-2-ylpyrrole-2-carboxamide
CID 107845959
4-chloro-N-(4-hydroxypentyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 106120396
4-chloro-N-pent-4-ynyl-1-propan-2-ylpyrrole-2-carboxamide
CID 106223263
4-amino-N-(2-methyl-2-methylsulfonylpropyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 79552297
4-chloro-N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61017424
N-(azetidin-3-yl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide
CID 66188396
ethyl 2-[(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)-methylamino]acetate
CID 55008014
N-(3-amino-2,2-difluoropropyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 114383747
N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)acetamide
CID 81484294

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide (CID 115305800) is N-(2-amino-2-ethylbutyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide is CCC(N)(CC)CNC(=O)c1cc(Cl)cn1C(C)C.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is NNMCWJHBWHAGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-5-14(16,6-2)9-17-13(19)12-7-11(15)8-18(12)10(3)4/h7-8,10H,5-6,9,16H2,1-4H3,(H,17,19).
What are the key properties of N-(2-amino-2-ethylbutyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide?
N-(2-amino-2-ethylbutyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 285.82 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 115305800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).