2-(dimethylamino)-5-[[(2S)-2-ethylhexanoyl]amino]-N-(3-methoxypropyl)benzamide

C21H35N3O3 — CID 7356631

IUPAC2-(dimethylamino)-5-[[(2S)-2-ethylhexanoyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCCCC[C@H](CC)C(=O)Nc1ccc(N(C)C)c(C(=O)NCCCOC)c1
InChIInChI=1S/C21H35N3O3/c1-6-8-10-16(7-2)20(25)23-17-11-12-19(24(3)4)18(15-17)21(26)22-13-9-14-27-5/h11-12,15-16H,6-10,13-14H2,1-5H3,(H,22,26)(H,23,25)/t16-/m0/s1
InChIKeyJLDGBTYEENJPMJ-INIZCTEOSA-N
MW377.53 g/mol
LogP3.67
Rot. Bonds12

About 2-(dimethylamino)-5-[[(2S)-2-ethylhexanoyl]amino]-N-(3-methoxypropyl)benzamide

2-(dimethylamino)-5-[[(2S)-2-ethylhexanoyl]amino]-N-(3-methoxypropyl)benzamide (PubChem CID 7356631) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is 2-(dimethylamino)-5-[[(2S)-2-ethylhexanoyl]amino]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name2-(dimethylamino)-5-[[(2S)-2-ethylhexanoyl]amino]-N-(3-methoxypropyl)benzamide
PubChem CID7356631
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC Name2-(dimethylamino)-5-[[(2S)-2-ethylhexanoyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCCCC[C@H](CC)C(=O)Nc1ccc(N(C)C)c(C(=O)NCCCOC)c1
InChIInChI=1S/C21H35N3O3/c1-6-8-10-16(7-2)20(25)23-17-11-12-19(24(3)4)18(15-17)21(26)22-13-9-14-27-5/h11-12,15-16H,6-10,13-14H2,1-5H3,(H,22,26)(H,23,25)/t16-/m0/s1
InChIKeyJLDGBTYEENJPMJ-INIZCTEOSA-N
XLogP3.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-5-(hexanoylamino)-N-(3-methoxypropyl)benzamide
CID 3535205
2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(2S)-2-phenylbutanoyl]amino]benzamide
CID 7230247
5-(butylcarbamoylamino)-2-(dimethylamino)-N-(2-methoxyethyl)benzamide
CID 3667525
5-[(2,2-dichloroacetyl)amino]-2-(dimethylamino)-N-(3-ethoxypropyl)benzamide
CID 4551644
5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 4002462
5-(cyclopropanecarbonylamino)-2-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 42747574
5-(2-ethylhexanoylamino)-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide
CID 5037076
2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(3R)-3,5,5-trimethylhexanoyl]amino]benzamide
CID 7356424
5-[[(2R)-2-ethylhexanoyl]amino]-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 7230501
2-(dimethylamino)-N-(3-methoxypropyl)-5-[(4-nitrobenzoyl)amino]benzamide
CID 3938181
2-(dimethylamino)-N-(3-methoxypropyl)-5-(3-phenylprop-2-enoylamino)benzamide
CID 5160037
2-(dimethylamino)-5-(2-phenylbutanoylamino)-N-propylbenzamide
CID 42747373

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-[[(2S)-2-ethylhexanoyl]amino]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 2-(dimethylamino)-5-[[(2S)-2-ethylhexanoyl]amino]-N-(3-methoxypropyl)benzamide (CID 7356631) is 2-(dimethylamino)-5-[[(2S)-2-ethylhexanoyl]amino]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 2-(dimethylamino)-5-[[(2S)-2-ethylhexanoyl]amino]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 2-(dimethylamino)-5-[[(2S)-2-ethylhexanoyl]amino]-N-(3-methoxypropyl)benzamide is CCCC[C@H](CC)C(=O)Nc1ccc(N(C)C)c(C(=O)NCCCOC)c1.
What is the InChIKey of 2-(dimethylamino)-5-[[(2S)-2-ethylhexanoyl]amino]-N-(3-methoxypropyl)benzamide?
The InChIKey is JLDGBTYEENJPMJ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H35N3O3/c1-6-8-10-16(7-2)20(25)23-17-11-12-19(24(3)4)18(15-17)21(26)22-13-9-14-27-5/h11-12,15-16H,6-10,13-14H2,1-5H3,(H,22,26)(H,23,25)/t16-/m0/s1.
What are the key properties of 2-(dimethylamino)-5-[[(2S)-2-ethylhexanoyl]amino]-N-(3-methoxypropyl)benzamide?
2-(dimethylamino)-5-[[(2S)-2-ethylhexanoyl]amino]-N-(3-methoxypropyl)benzamide has a molecular weight of 377.53 g/mol, XLogP of 3.67, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-[[(2S)-2-ethylhexanoyl]amino]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 7356631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).