ethane;N-[4-[(3-imino-6-methoxy-4-propan-2-ylquinoxalin-2-yl)amino]butyl]-3,3-dimethylbutanamide;molecular hydrogen

C24H45N5O2 — CID 142406594

IUPACethane;N-[4-[(3-imino-6-methoxy-4-propan-2-ylquinoxalin-2-yl)amino]butyl]-3,3-dimethylbutanamide;molecular hydrogen
SMILESCC.[H]/N=c1\c(NCCCCNC(=O)CC(C)(C)C)nc2ccc(OC)cc2n1C(C)C.[H][H].[H][H]
InChIInChI=1S/C22H35N5O2.C2H6.2H2/c1-15(2)27-18-13-16(29-6)9-10-17(18)26-21(20(27)23)25-12-8-7-11-24-19(28)14-22(3,4)5;1-2;;/h9-10,13,15,23H,7-8,11-12,14H2,1-6H3,(H,24,28)(H,25,26);1-2H3;2*1H/b23-20+;;;
InChIKeyOXVFAZVMWGQSNI-RPAGOMEVSA-N
MW435.66 g/mol
LogP5.37
Rot. Bonds9

About ethane;N-[4-[(3-imino-6-methoxy-4-propan-2-ylquinoxalin-2-yl)amino]butyl]-3,3-dimethylbutanamide;molecular hydrogen

ethane;N-[4-[(3-imino-6-methoxy-4-propan-2-ylquinoxalin-2-yl)amino]butyl]-3,3-dimethylbutanamide;molecular hydrogen (PubChem CID 142406594) has the molecular formula C24H45N5O2 and a molecular weight of 435.66 g/mol. Its IUPAC name is ethane;N-[4-[(3-imino-6-methoxy-4-propan-2-ylquinoxalin-2-yl)amino]butyl]-3,3-dimethylbutanamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-[4-[(3-imino-6-methoxy-4-propan-2-ylquinoxalin-2-yl)amino]butyl]-3,3-dimethylbutanamide;molecular hydrogen
PubChem CID142406594
Molecular FormulaC24H45N5O2
Molecular Weight435.66 g/mol
Exact Mass435.36
IUPAC Nameethane;N-[4-[(3-imino-6-methoxy-4-propan-2-ylquinoxalin-2-yl)amino]butyl]-3,3-dimethylbutanamide;molecular hydrogen
SMILESCC.[H]/N=c1\c(NCCCCNC(=O)CC(C)(C)C)nc2ccc(OC)cc2n1C(C)C.[H][H].[H][H]
InChIInChI=1S/C22H35N5O2.C2H6.2H2/c1-15(2)27-18-13-16(29-6)9-10-17(18)26-21(20(27)23)25-12-8-7-11-24-19(28)14-22(3,4)5;1-2;;/h9-10,13,15,23H,7-8,11-12,14H2,1-6H3,(H,24,28)(H,25,26);1-2H3;2*1H/b23-20+;;;
InChIKeyOXVFAZVMWGQSNI-RPAGOMEVSA-N
XLogP5.37
TPSA92.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.66
LogP ≤ 55.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[4-[(7-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]-3-methylbutanamide
CID 146314841
N-[7-methoxy-1-methyl-4-[4-(3-methylbutanoylamino)butylamino]-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]-3,3-dimethylbutanamide
CID 146342092
N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 3434751
N-(7,7-dimethyloctyl)-4-methoxybenzamide
CID 168820142
N-[4-[(7-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]-2-thiophen-2-ylacetamide
CID 135276218
N-[4-[[7-(2-methoxyethoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]amino]butyl]-4-methylpentanamide
CID 142746076
N-[2-[(3-cyano-6-ethoxyquinolin-2-yl)amino]ethyl]-3,3-dimethylbutanamide
CID 44754257
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]-3,3-dimethylbutanamide
CID 42175622
N-(4,4-dimethylpentyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 110617824
N-(cyclopropylmethyl)-2-[6-methoxy-2-(2-methylpropanoyl)benzimidazol-1-yl]pentanamide
CID 91603251
2-(4-aminobutylamino)-7-methoxyquinoline-3-carboxylic acid
CID 10379413
tert-butyl N-[6-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]hexyl]carbamate
CID 118612061

Frequently Asked Questions

What is the IUPAC name of ethane;N-[4-[(3-imino-6-methoxy-4-propan-2-ylquinoxalin-2-yl)amino]butyl]-3,3-dimethylbutanamide;molecular hydrogen?
The IUPAC name of ethane;N-[4-[(3-imino-6-methoxy-4-propan-2-ylquinoxalin-2-yl)amino]butyl]-3,3-dimethylbutanamide;molecular hydrogen (CID 142406594) is ethane;N-[4-[(3-imino-6-methoxy-4-propan-2-ylquinoxalin-2-yl)amino]butyl]-3,3-dimethylbutanamide;molecular hydrogen.
What is the SMILES notation for ethane;N-[4-[(3-imino-6-methoxy-4-propan-2-ylquinoxalin-2-yl)amino]butyl]-3,3-dimethylbutanamide;molecular hydrogen?
The canonical SMILES for ethane;N-[4-[(3-imino-6-methoxy-4-propan-2-ylquinoxalin-2-yl)amino]butyl]-3,3-dimethylbutanamide;molecular hydrogen is CC.[H]/N=c1\c(NCCCCNC(=O)CC(C)(C)C)nc2ccc(OC)cc2n1C(C)C.[H][H].[H][H].
What is the InChIKey of ethane;N-[4-[(3-imino-6-methoxy-4-propan-2-ylquinoxalin-2-yl)amino]butyl]-3,3-dimethylbutanamide;molecular hydrogen?
The InChIKey is OXVFAZVMWGQSNI-RPAGOMEVSA-N. The full InChI is InChI=1S/C22H35N5O2.C2H6.2H2/c1-15(2)27-18-13-16(29-6)9-10-17(18)26-21(20(27)23)25-12-8-7-11-24-19(28)14-22(3,4)5;1-2;;/h9-10,13,15,23H,7-8,11-12,14H2,1-6H3,(H,24,28)(H,25,26);1-2H3;2*1H/b23-20+;;;.
What are the key properties of ethane;N-[4-[(3-imino-6-methoxy-4-propan-2-ylquinoxalin-2-yl)amino]butyl]-3,3-dimethylbutanamide;molecular hydrogen?
ethane;N-[4-[(3-imino-6-methoxy-4-propan-2-ylquinoxalin-2-yl)amino]butyl]-3,3-dimethylbutanamide;molecular hydrogen has a molecular weight of 435.66 g/mol, XLogP of 5.37, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[4-[(3-imino-6-methoxy-4-propan-2-ylquinoxalin-2-yl)amino]butyl]-3,3-dimethylbutanamide;molecular hydrogen is sourced from PubChem (CID 142406594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).