N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-(ethylamino)benzamide

C17H29N3O — CID 62181781

IUPACN-[1-(dimethylamino)-4-methylpentan-2-yl]-4-(ethylamino)benzamide
SMILESCCNc1ccc(C(=O)NC(CC(C)C)CN(C)C)cc1
InChIInChI=1S/C17H29N3O/c1-6-18-15-9-7-14(8-10-15)17(21)19-16(11-13(2)3)12-20(4)5/h7-10,13,16,18H,6,11-12H2,1-5H3,(H,19,21)
InChIKeyOPFHQDMLSCSQHR-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.82
Rot. Bonds8

About N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-(ethylamino)benzamide

N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-(ethylamino)benzamide (PubChem CID 62181781) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-(ethylamino)benzamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-4-methylpentan-2-yl]-4-(ethylamino)benzamide
PubChem CID62181781
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[1-(dimethylamino)-4-methylpentan-2-yl]-4-(ethylamino)benzamide
SMILESCCNc1ccc(C(=O)NC(CC(C)C)CN(C)C)cc1
InChIInChI=1S/C17H29N3O/c1-6-18-15-9-7-14(8-10-15)17(21)19-16(11-13(2)3)12-20(4)5/h7-10,13,16,18H,6,11-12H2,1-5H3,(H,19,21)
InChIKeyOPFHQDMLSCSQHR-UHFFFAOYSA-N
XLogP2.82
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dibromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
CID 107980196
3-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylbenzamide
CID 81472392
N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-fluoropyridine-3-carboxamide
CID 63978149
N-(4-acetylphenyl)-N'-[1-(dimethylamino)-4-methylpentan-2-yl]oxamide
CID 71888767
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998097
(3R)-3-[(4-acetamidobenzoyl)amino]-4-(dimethylamino)butanoic acid
CID 89472604
[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 61059405
2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
CID 54877519
3-(2-aminoethyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
CID 62592624
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(methylamino)benzamide
CID 61376334
N-(1-amino-4-methylpentan-2-yl)-4-propylbenzamide
CID 119588043
6-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2-carboxamide
CID 103875259

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-(ethylamino)benzamide?
The IUPAC name of N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-(ethylamino)benzamide (CID 62181781) is N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-(ethylamino)benzamide.
What is the SMILES notation for N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-(ethylamino)benzamide?
The canonical SMILES for N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-(ethylamino)benzamide is CCNc1ccc(C(=O)NC(CC(C)C)CN(C)C)cc1.
What is the InChIKey of N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-(ethylamino)benzamide?
The InChIKey is OPFHQDMLSCSQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-6-18-15-9-7-14(8-10-15)17(21)19-16(11-13(2)3)12-20(4)5/h7-10,13,16,18H,6,11-12H2,1-5H3,(H,19,21).
What are the key properties of N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-(ethylamino)benzamide?
N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-(ethylamino)benzamide has a molecular weight of 291.44 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-(ethylamino)benzamide is sourced from PubChem (CID 62181781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).