N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(ethylamino)-2-methylbenzamide

C15H23N3O2 — CID 106280076

IUPACN-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(ethylamino)-2-methylbenzamide
SMILESCCNc1ccc(C(=O)NCC(C)(C)C(N)=O)c(C)c1
InChIInChI=1S/C15H23N3O2/c1-5-17-11-6-7-12(10(2)8-11)13(19)18-9-15(3,4)14(16)20/h6-8,17H,5,9H2,1-4H3,(H2,16,20)(H,18,19)
InChIKeyQKVVPBGPOUSCRR-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.67
Rot. Bonds6

About N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(ethylamino)-2-methylbenzamide

N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(ethylamino)-2-methylbenzamide (PubChem CID 106280076) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(ethylamino)-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(ethylamino)-2-methylbenzamide
PubChem CID106280076
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(ethylamino)-2-methylbenzamide
SMILESCCNc1ccc(C(=O)NCC(C)(C)C(N)=O)c(C)c1
InChIInChI=1S/C15H23N3O2/c1-5-17-11-6-7-12(10(2)8-11)13(19)18-9-15(3,4)14(16)20/h6-8,17H,5,9H2,1-4H3,(H2,16,20)(H,18,19)
InChIKeyQKVVPBGPOUSCRR-UHFFFAOYSA-N
XLogP1.67
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoroethyl)-4-(ethylamino)-2-methylbenzamide
CID 113400228
4-(ethylamino)-2-methyl-N-pentylbenzamide
CID 113400130
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-hydrazinyl-2-methylbenzamide
CID 106280283
N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydrazinylbenzamide
CID 106280256
N-(2-ethoxy-2-methylpropyl)-2-methyl-4-(propylamino)benzamide
CID 114944148
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-bromo-4-chlorobenzamide
CID 113257326
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-hydroxybenzamide
CID 106274538
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-methoxybenzamide
CID 106276358
N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxybenzamide
CID 103875188
4-(ethylamino)-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103011268
N-ethyl-4-(ethylamino)-2-methyl-N-propylbenzamide
CID 113400156
5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-bromobenzamide
CID 114167042

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(ethylamino)-2-methylbenzamide?
The IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(ethylamino)-2-methylbenzamide (CID 106280076) is N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(ethylamino)-2-methylbenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(ethylamino)-2-methylbenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(ethylamino)-2-methylbenzamide is CCNc1ccc(C(=O)NCC(C)(C)C(N)=O)c(C)c1.
What is the InChIKey of N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(ethylamino)-2-methylbenzamide?
The InChIKey is QKVVPBGPOUSCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-5-17-11-6-7-12(10(2)8-11)13(19)18-9-15(3,4)14(16)20/h6-8,17H,5,9H2,1-4H3,(H2,16,20)(H,18,19).
What are the key properties of N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(ethylamino)-2-methylbenzamide?
N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(ethylamino)-2-methylbenzamide has a molecular weight of 277.37 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(ethylamino)-2-methylbenzamide is sourced from PubChem (CID 106280076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).