N,N-diethyl-3-(5-methylhexan-2-ylamino)benzamide

C18H30N2O — CID 43107017

IUPACN,N-diethyl-3-(5-methylhexan-2-ylamino)benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(C)CCC(C)C)c1
InChIInChI=1S/C18H30N2O/c1-6-20(7-2)18(21)16-9-8-10-17(13-16)19-15(5)12-11-14(3)4/h8-10,13-15,19H,6-7,11-12H2,1-5H3
InChIKeyZVYCRLWPNKOACU-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.41
Rot. Bonds8

About N,N-diethyl-3-(5-methylhexan-2-ylamino)benzamide

N,N-diethyl-3-(5-methylhexan-2-ylamino)benzamide (PubChem CID 43107017) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N,N-diethyl-3-(5-methylhexan-2-ylamino)benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-(5-methylhexan-2-ylamino)benzamide
PubChem CID43107017
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN,N-diethyl-3-(5-methylhexan-2-ylamino)benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(C)CCC(C)C)c1
InChIInChI=1S/C18H30N2O/c1-6-20(7-2)18(21)16-9-8-10-17(13-16)19-15(5)12-11-14(3)4/h8-10,13-15,19H,6-7,11-12H2,1-5H3
InChIKeyZVYCRLWPNKOACU-UHFFFAOYSA-N
XLogP4.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,N-diethylbenzamide
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N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
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N,N-diethyl-3-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17194593
N,N-diethyl-3-(methylcarbamoylamino)benzamide
CID 47173763
1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
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3-[(3-chloro-2-hydroxypropyl)amino]-N,N-diethylbenzamide
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N-[2-(diethylamino)propyl]-N'-[3-(diethylcarbamoyl)phenyl]oxamide
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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(5-methylhexan-2-ylamino)benzamide?
The IUPAC name of N,N-diethyl-3-(5-methylhexan-2-ylamino)benzamide (CID 43107017) is N,N-diethyl-3-(5-methylhexan-2-ylamino)benzamide.
What is the SMILES notation for N,N-diethyl-3-(5-methylhexan-2-ylamino)benzamide?
The canonical SMILES for N,N-diethyl-3-(5-methylhexan-2-ylamino)benzamide is CCN(CC)C(=O)c1cccc(NC(C)CCC(C)C)c1.
What is the InChIKey of N,N-diethyl-3-(5-methylhexan-2-ylamino)benzamide?
The InChIKey is ZVYCRLWPNKOACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-6-20(7-2)18(21)16-9-8-10-17(13-16)19-15(5)12-11-14(3)4/h8-10,13-15,19H,6-7,11-12H2,1-5H3.
What are the key properties of N,N-diethyl-3-(5-methylhexan-2-ylamino)benzamide?
N,N-diethyl-3-(5-methylhexan-2-ylamino)benzamide has a molecular weight of 290.45 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(5-methylhexan-2-ylamino)benzamide is sourced from PubChem (CID 43107017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).