ethane;N-ethyl-3-methyl-4-propan-2-yl-N-propylbenzamide

C18H31NO — CID 144625128

IUPACethane;N-ethyl-3-methyl-4-propan-2-yl-N-propylbenzamide
SMILESCC.CCCN(CC)C(=O)c1ccc(C(C)C)c(C)c1
InChIInChI=1S/C16H25NO.C2H6/c1-6-10-17(7-2)16(18)14-8-9-15(12(3)4)13(5)11-14;1-2/h8-9,11-12H,6-7,10H2,1-5H3;1-2H3
InChIKeyFLKMDNHKRWQYLS-UHFFFAOYSA-N
MW277.45 g/mol
LogP5.02
Rot. Bonds5

About ethane;N-ethyl-3-methyl-4-propan-2-yl-N-propylbenzamide

ethane;N-ethyl-3-methyl-4-propan-2-yl-N-propylbenzamide (PubChem CID 144625128) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is ethane;N-ethyl-3-methyl-4-propan-2-yl-N-propylbenzamide.

Molecular Properties

Compound Nameethane;N-ethyl-3-methyl-4-propan-2-yl-N-propylbenzamide
PubChem CID144625128
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Nameethane;N-ethyl-3-methyl-4-propan-2-yl-N-propylbenzamide
SMILESCC.CCCN(CC)C(=O)c1ccc(C(C)C)c(C)c1
InChIInChI=1S/C16H25NO.C2H6/c1-6-10-17(7-2)16(18)14-8-9-15(12(3)4)13(5)11-14;1-2/h8-9,11-12H,6-7,10H2,1-5H3;1-2H3
InChIKeyFLKMDNHKRWQYLS-UHFFFAOYSA-N
XLogP5.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.45
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diethyl-3-fluoro-4-propan-2-ylbenzamide
CID 167035620
N-ethyl-3-methyl-4-propan-2-ylbenzamide
CID 58969990
4-fluoro-3-methyl-N,N-dipropylbenzamide
CID 63212171
N,N-diethyl-3-methyl-4-propan-2-yloxybenzamide
CID 110762336
4-[ethyl(propyl)carbamoyl]benzoic acid
CID 43452972
N-(2-bromoethyl)-4-fluoro-3-methyl-N-propylbenzamide
CID 80660124
ethane;4-methyl-N,N-dipropylbenzamide
CID 143600655
3-amino-4-ethoxy-N-ethyl-N-propylbenzamide
CID 61094577
3-methyl-4-propan-2-ylbenzohydrazide
CID 130427973
4-bromo-N,N-diethyl-3-methylbenzamide
CID 18960573
3-methyl-4-nitro-N,N-dipropylbenzamide
CID 786985
4-bromo-N-(2-hydroxyethyl)-3-methyl-N-propylbenzamide
CID 112706331

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-3-methyl-4-propan-2-yl-N-propylbenzamide?
The IUPAC name of ethane;N-ethyl-3-methyl-4-propan-2-yl-N-propylbenzamide (CID 144625128) is ethane;N-ethyl-3-methyl-4-propan-2-yl-N-propylbenzamide.
What is the SMILES notation for ethane;N-ethyl-3-methyl-4-propan-2-yl-N-propylbenzamide?
The canonical SMILES for ethane;N-ethyl-3-methyl-4-propan-2-yl-N-propylbenzamide is CC.CCCN(CC)C(=O)c1ccc(C(C)C)c(C)c1.
What is the InChIKey of ethane;N-ethyl-3-methyl-4-propan-2-yl-N-propylbenzamide?
The InChIKey is FLKMDNHKRWQYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO.C2H6/c1-6-10-17(7-2)16(18)14-8-9-15(12(3)4)13(5)11-14;1-2/h8-9,11-12H,6-7,10H2,1-5H3;1-2H3.
What are the key properties of ethane;N-ethyl-3-methyl-4-propan-2-yl-N-propylbenzamide?
ethane;N-ethyl-3-methyl-4-propan-2-yl-N-propylbenzamide has a molecular weight of 277.45 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-3-methyl-4-propan-2-yl-N-propylbenzamide is sourced from PubChem (CID 144625128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).