N-butan-2-yl-3-methoxy-N-methyl-4-(3-methylbutoxy)benzamide

C18H29NO3 — CID 75872470

IUPACN-butan-2-yl-3-methoxy-N-methyl-4-(3-methylbutoxy)benzamide
SMILESCCC(C)N(C)C(=O)c1ccc(OCCC(C)C)c(OC)c1
InChIInChI=1S/C18H29NO3/c1-7-14(4)19(5)18(20)15-8-9-16(17(12-15)21-6)22-11-10-13(2)3/h8-9,12-14H,7,10-11H2,1-6H3
InChIKeyPIJMPNWBPGPFEB-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.99
Rot. Bonds8

About N-butan-2-yl-3-methoxy-N-methyl-4-(3-methylbutoxy)benzamide

N-butan-2-yl-3-methoxy-N-methyl-4-(3-methylbutoxy)benzamide (PubChem CID 75872470) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is N-butan-2-yl-3-methoxy-N-methyl-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-methoxy-N-methyl-4-(3-methylbutoxy)benzamide
PubChem CID75872470
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC NameN-butan-2-yl-3-methoxy-N-methyl-4-(3-methylbutoxy)benzamide
SMILESCCC(C)N(C)C(=O)c1ccc(OCCC(C)C)c(OC)c1
InChIInChI=1S/C18H29NO3/c1-7-14(4)19(5)18(20)15-8-9-16(17(12-15)21-6)22-11-10-13(2)3/h8-9,12-14H,7,10-11H2,1-6H3
InChIKeyPIJMPNWBPGPFEB-UHFFFAOYSA-N
XLogP3.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-butan-2-yl-4-methoxy-N-methylbenzamide
CID 61025993
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide
CID 112701397
3-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443779
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride
CID 119583303
N-(1-aminopropan-2-yl)-4-ethoxy-3-methoxy-N-methylbenzamide;hydrochloride
CID 119582790
azocan-1-yl-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone
CID 112793153
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 120505097
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 55901041
N-(4-hydroxyphenyl)-3-methoxy-4-(3-methylbutoxy)benzamide
CID 51186820
N-[(4-fluorophenyl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 112791004
N-(1-aminopropan-2-yl)-N-methyl-4-(3-methylbutoxy)benzamide
CID 119583468
4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide
CID 59224071

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-methoxy-N-methyl-4-(3-methylbutoxy)benzamide?
The IUPAC name of N-butan-2-yl-3-methoxy-N-methyl-4-(3-methylbutoxy)benzamide (CID 75872470) is N-butan-2-yl-3-methoxy-N-methyl-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-butan-2-yl-3-methoxy-N-methyl-4-(3-methylbutoxy)benzamide?
The canonical SMILES for N-butan-2-yl-3-methoxy-N-methyl-4-(3-methylbutoxy)benzamide is CCC(C)N(C)C(=O)c1ccc(OCCC(C)C)c(OC)c1.
What is the InChIKey of N-butan-2-yl-3-methoxy-N-methyl-4-(3-methylbutoxy)benzamide?
The InChIKey is PIJMPNWBPGPFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-7-14(4)19(5)18(20)15-8-9-16(17(12-15)21-6)22-11-10-13(2)3/h8-9,12-14H,7,10-11H2,1-6H3.
What are the key properties of N-butan-2-yl-3-methoxy-N-methyl-4-(3-methylbutoxy)benzamide?
N-butan-2-yl-3-methoxy-N-methyl-4-(3-methylbutoxy)benzamide has a molecular weight of 307.43 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-methoxy-N-methyl-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 75872470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).