5-amino-N-propan-2-yl-1H-indole-2-carboxamide;N,N-dimethyl-2-propan-2-yloxyethanamine

C19H32N4O2 — CID 163474124

IUPAC5-amino-N-propan-2-yl-1H-indole-2-carboxamide;N,N-dimethyl-2-propan-2-yloxyethanamine
SMILESCC(C)NC(=O)c1cc2cc(N)ccc2[nH]1.CC(C)OCCN(C)C
InChIInChI=1S/C12H15N3O.C7H17NO/c1-7(2)14-12(16)11-6-8-5-9(13)3-4-10(8)15-11;1-7(2)9-6-5-8(3)4/h3-7,15H,13H2,1-2H3,(H,14,16);7H,5-6H2,1-4H3
InChIKeyBYZFBBDXRZZNKF-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.86
Rot. Bonds6

About 5-amino-N-propan-2-yl-1H-indole-2-carboxamide;N,N-dimethyl-2-propan-2-yloxyethanamine

5-amino-N-propan-2-yl-1H-indole-2-carboxamide;N,N-dimethyl-2-propan-2-yloxyethanamine (PubChem CID 163474124) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 5-amino-N-propan-2-yl-1H-indole-2-carboxamide;N,N-dimethyl-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name5-amino-N-propan-2-yl-1H-indole-2-carboxamide;N,N-dimethyl-2-propan-2-yloxyethanamine
PubChem CID163474124
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name5-amino-N-propan-2-yl-1H-indole-2-carboxamide;N,N-dimethyl-2-propan-2-yloxyethanamine
SMILESCC(C)NC(=O)c1cc2cc(N)ccc2[nH]1.CC(C)OCCN(C)C
InChIInChI=1S/C12H15N3O.C7H17NO/c1-7(2)14-12(16)11-6-8-5-9(13)3-4-10(8)15-11;1-7(2)9-6-5-8(3)4/h3-7,15H,13H2,1-2H3,(H,14,16);7H,5-6H2,1-4H3
InChIKeyBYZFBBDXRZZNKF-UHFFFAOYSA-N
XLogP2.86
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 63117766
5-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 103106426
5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-2-carboxamide
CID 63118430
5-amino-N-(2-methylbutyl)-1H-indole-2-carboxamide
CID 55179457
5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847836
6-amino-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide
CID 86759764
5-amino-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide
CID 63117840
5-amino-N-(1-thiophen-2-ylpropyl)-1H-indole-2-carboxamide
CID 63118272
5-amino-N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 63117893
1-(5-amino-1H-indol-2-yl)ethanone
CID 59837588
5-amino-N-(1-cyclopropylethyl)-N-methyl-1H-indole-2-carboxamide
CID 55178492

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-propan-2-yl-1H-indole-2-carboxamide;N,N-dimethyl-2-propan-2-yloxyethanamine?
The IUPAC name of 5-amino-N-propan-2-yl-1H-indole-2-carboxamide;N,N-dimethyl-2-propan-2-yloxyethanamine (CID 163474124) is 5-amino-N-propan-2-yl-1H-indole-2-carboxamide;N,N-dimethyl-2-propan-2-yloxyethanamine.
What is the SMILES notation for 5-amino-N-propan-2-yl-1H-indole-2-carboxamide;N,N-dimethyl-2-propan-2-yloxyethanamine?
The canonical SMILES for 5-amino-N-propan-2-yl-1H-indole-2-carboxamide;N,N-dimethyl-2-propan-2-yloxyethanamine is CC(C)NC(=O)c1cc2cc(N)ccc2[nH]1.CC(C)OCCN(C)C.
What is the InChIKey of 5-amino-N-propan-2-yl-1H-indole-2-carboxamide;N,N-dimethyl-2-propan-2-yloxyethanamine?
The InChIKey is BYZFBBDXRZZNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O.C7H17NO/c1-7(2)14-12(16)11-6-8-5-9(13)3-4-10(8)15-11;1-7(2)9-6-5-8(3)4/h3-7,15H,13H2,1-2H3,(H,14,16);7H,5-6H2,1-4H3.
What are the key properties of 5-amino-N-propan-2-yl-1H-indole-2-carboxamide;N,N-dimethyl-2-propan-2-yloxyethanamine?
5-amino-N-propan-2-yl-1H-indole-2-carboxamide;N,N-dimethyl-2-propan-2-yloxyethanamine has a molecular weight of 348.49 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-propan-2-yl-1H-indole-2-carboxamide;N,N-dimethyl-2-propan-2-yloxyethanamine is sourced from PubChem (CID 163474124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).