2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]-N-(2-methylpropyl)benzamide

C21H28N4O3 — CID 42747759

IUPAC2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]-N-(2-methylpropyl)benzamide
SMILESCOc1ccccc1NC(=O)Nc1ccc(N(C)C)c(C(=O)NCC(C)C)c1
InChIInChI=1S/C21H28N4O3/c1-14(2)13-22-20(26)16-12-15(10-11-18(16)25(3)4)23-21(27)24-17-8-6-7-9-19(17)28-5/h6-12,14H,13H2,1-5H3,(H,22,26)(H2,23,24,27)
InChIKeyBHDFYOZKQNKMDF-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.79
Rot. Bonds7

About 2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]-N-(2-methylpropyl)benzamide

2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]-N-(2-methylpropyl)benzamide (PubChem CID 42747759) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]-N-(2-methylpropyl)benzamide
PubChem CID42747759
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]-N-(2-methylpropyl)benzamide
SMILESCOc1ccccc1NC(=O)Nc1ccc(N(C)C)c(C(=O)NCC(C)C)c1
InChIInChI=1S/C21H28N4O3/c1-14(2)13-22-20(26)16-12-15(10-11-18(16)25(3)4)23-21(27)24-17-8-6-7-9-19(17)28-5/h6-12,14H,13H2,1-5H3,(H,22,26)(H2,23,24,27)
InChIKeyBHDFYOZKQNKMDF-UHFFFAOYSA-N
XLogP3.79
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-methylpropyl)benzamide
CID 3538460
N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]benzamide
CID 3883285
2-[(3-methoxyphenyl)carbamoylamino]-N-(2-methylpropyl)benzamide
CID 100745717
2-(dimethylamino)-N-(2-methylpropyl)-5-(3-phenylpropanoylamino)benzamide
CID 42747211
5-[(2,4-dimethoxyphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide
CID 42752990
2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-propylbenzamide
CID 4520779
2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-propylbenzamide
CID 3459744
5-(benzenesulfonamido)-2-(dimethylamino)-N-(2-methylpropyl)benzamide
CID 42748003
N-(3,4-dimethoxyphenyl)-2-(2-methylpropylcarbamoylamino)benzamide
CID 110609641
5-(cyclohexanecarbonylamino)-2-(dimethylamino)-N-(2-methylpropyl)benzamide
CID 42747203
N-butan-2-yl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 4992551
N-butan-2-yl-5-[(2-methoxyphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 4042669

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]-N-(2-methylpropyl)benzamide (CID 42747759) is 2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]-N-(2-methylpropyl)benzamide is COc1ccccc1NC(=O)Nc1ccc(N(C)C)c(C(=O)NCC(C)C)c1.
What is the InChIKey of 2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]-N-(2-methylpropyl)benzamide?
The InChIKey is BHDFYOZKQNKMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-14(2)13-22-20(26)16-12-15(10-11-18(16)25(3)4)23-21(27)24-17-8-6-7-9-19(17)28-5/h6-12,14H,13H2,1-5H3,(H,22,26)(H2,23,24,27).
What are the key properties of 2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]-N-(2-methylpropyl)benzamide?
2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]-N-(2-methylpropyl)benzamide has a molecular weight of 384.48 g/mol, XLogP of 3.79, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 42747759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).