5-(butylcarbamoylamino)-2-(dimethylamino)-N-(2-methoxyethyl)benzamide

C17H28N4O3 — CID 3667525

IUPAC5-(butylcarbamoylamino)-2-(dimethylamino)-N-(2-methoxyethyl)benzamide
SMILESCCCCNC(=O)Nc1ccc(N(C)C)c(C(=O)NCCOC)c1
InChIInChI=1S/C17H28N4O3/c1-5-6-9-19-17(23)20-13-7-8-15(21(2)3)14(12-13)16(22)18-10-11-24-4/h7-8,12H,5-6,9-11H2,1-4H3,(H,18,22)(H2,19,20,23)
InChIKeyLSSUGLGGYNLEHT-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.05
Rot. Bonds9

About 5-(butylcarbamoylamino)-2-(dimethylamino)-N-(2-methoxyethyl)benzamide

5-(butylcarbamoylamino)-2-(dimethylamino)-N-(2-methoxyethyl)benzamide (PubChem CID 3667525) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 5-(butylcarbamoylamino)-2-(dimethylamino)-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name5-(butylcarbamoylamino)-2-(dimethylamino)-N-(2-methoxyethyl)benzamide
PubChem CID3667525
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name5-(butylcarbamoylamino)-2-(dimethylamino)-N-(2-methoxyethyl)benzamide
SMILESCCCCNC(=O)Nc1ccc(N(C)C)c(C(=O)NCCOC)c1
InChIInChI=1S/C17H28N4O3/c1-5-6-9-19-17(23)20-13-7-8-15(21(2)3)14(12-13)16(22)18-10-11-24-4/h7-8,12H,5-6,9-11H2,1-4H3,(H,18,22)(H2,19,20,23)
InChIKeyLSSUGLGGYNLEHT-UHFFFAOYSA-N
XLogP2.05
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.05
H-Bond Donors ≤ 53
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
5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 4002462
2-(dimethylamino)-5-[[(2S)-2-ethylhexanoyl]amino]-N-(3-methoxypropyl)benzamide
CID 7356631
2-(dimethylamino)-N-(2-methoxyethyl)-5-[(4-methylbenzoyl)amino]benzamide
CID 4036231
ethyl 4-[4-(dimethylamino)-3-(2-methoxyethylcarbamoyl)anilino]-4-oxobutanoate
CID 42747552
5-(cyclopropanecarbonylamino)-2-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 42747574
2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-propylbenzamide
CID 3459744
5-[[3,5-bis(trifluoromethyl)benzoyl]amino]-2-(dimethylamino)-N-(2-methoxyethyl)benzamide
CID 3905630
2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(2S)-2-phenylbutanoyl]amino]benzamide
CID 7230247
2-(dimethylamino)-5-[(4-propan-2-ylphenyl)carbamoylamino]-N-propylbenzamide
CID 3417510
5-[(2,2-dichloroacetyl)amino]-2-(dimethylamino)-N-(3-ethoxypropyl)benzamide
CID 4551644
2-(dimethylamino)-N-(3-methoxypropyl)-5-(3-phenylprop-2-enoylamino)benzamide
CID 5160037

Frequently Asked Questions

What is the IUPAC name of 5-(butylcarbamoylamino)-2-(dimethylamino)-N-(2-methoxyethyl)benzamide?
The IUPAC name of 5-(butylcarbamoylamino)-2-(dimethylamino)-N-(2-methoxyethyl)benzamide (CID 3667525) is 5-(butylcarbamoylamino)-2-(dimethylamino)-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 5-(butylcarbamoylamino)-2-(dimethylamino)-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 5-(butylcarbamoylamino)-2-(dimethylamino)-N-(2-methoxyethyl)benzamide is CCCCNC(=O)Nc1ccc(N(C)C)c(C(=O)NCCOC)c1.
What is the InChIKey of 5-(butylcarbamoylamino)-2-(dimethylamino)-N-(2-methoxyethyl)benzamide?
The InChIKey is LSSUGLGGYNLEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-5-6-9-19-17(23)20-13-7-8-15(21(2)3)14(12-13)16(22)18-10-11-24-4/h7-8,12H,5-6,9-11H2,1-4H3,(H,18,22)(H2,19,20,23).
What are the key properties of 5-(butylcarbamoylamino)-2-(dimethylamino)-N-(2-methoxyethyl)benzamide?
5-(butylcarbamoylamino)-2-(dimethylamino)-N-(2-methoxyethyl)benzamide has a molecular weight of 336.44 g/mol, XLogP of 2.05, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylcarbamoylamino)-2-(dimethylamino)-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 3667525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).