N-[(Z)-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methylideneamino]acetamide

C15H20N4O — CID 70858282

IUPACN-[(Z)-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1ccc2[nH]cc(CCN(C)C)c2c1
InChIInChI=1S/C15H20N4O/c1-11(20)18-17-9-12-4-5-15-14(8-12)13(10-16-15)6-7-19(2)3/h4-5,8-10,16H,6-7H2,1-3H3,(H,18,20)/b17-9-
InChIKeyDWUXWAAEJKYYHO-MFOYZWKCSA-N
MW272.35 g/mol
LogP1.74
Rot. Bonds5

About N-[(Z)-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methylideneamino]acetamide

N-[(Z)-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methylideneamino]acetamide (PubChem CID 70858282) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(Z)-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methylideneamino]acetamide
PubChem CID70858282
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[(Z)-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1ccc2[nH]cc(CCN(C)C)c2c1
InChIInChI=1S/C15H20N4O/c1-11(20)18-17-9-12-4-5-15-14(8-12)13(10-16-15)6-7-19(2)3/h4-5,8-10,16H,6-7H2,1-3H3,(H,18,20)/b17-9-
InChIKeyDWUXWAAEJKYYHO-MFOYZWKCSA-N
XLogP1.74
TPSA60.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]butan-2-yl]acetamide
CID 70821613
3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide
CID 69189057
(E)-3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1-morpholin-4-ylprop-2-en-1-one
CID 25114539
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide
CID 171764243
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate;oxalic acid
CID 90674869
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849
2-[4-(acetamidomethyl)phenyl]-N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide
CID 14180996
3-[2-(dimethylamino)ethyl]-1H-indol-5-amine
CID 11820211
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]thiourea
CID 19040763
2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-[(4-methoxyphenyl)methyl]ethenesulfonamide
CID 54134165
2-[4-[2-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethylamino]-2-oxoethyl]phenyl]acetamide
CID 14180980
2-[5-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylethanamine
CID 54378350

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methylideneamino]acetamide?
The IUPAC name of N-[(Z)-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methylideneamino]acetamide (CID 70858282) is N-[(Z)-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methylideneamino]acetamide.
What is the SMILES notation for N-[(Z)-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methylideneamino]acetamide?
The canonical SMILES for N-[(Z)-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methylideneamino]acetamide is CC(=O)N/N=C\c1ccc2[nH]cc(CCN(C)C)c2c1.
What is the InChIKey of N-[(Z)-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methylideneamino]acetamide?
The InChIKey is DWUXWAAEJKYYHO-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(20)18-17-9-12-4-5-15-14(8-12)13(10-16-15)6-7-19(2)3/h4-5,8-10,16H,6-7H2,1-3H3,(H,18,20)/b17-9-.
What are the key properties of N-[(Z)-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methylideneamino]acetamide?
N-[(Z)-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methylideneamino]acetamide has a molecular weight of 272.35 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methylideneamino]acetamide is sourced from PubChem (CID 70858282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).