4-amino-3-methoxy-N-methyl-N-(1-phenylbutan-2-yl)butanamide

C16H26N2O2 — CID 120593388

IUPAC4-amino-3-methoxy-N-methyl-N-(1-phenylbutan-2-yl)butanamide
SMILESCCC(Cc1ccccc1)N(C)C(=O)CC(CN)OC
InChIInChI=1S/C16H26N2O2/c1-4-14(10-13-8-6-5-7-9-13)18(2)16(19)11-15(12-17)20-3/h5-9,14-15H,4,10-12,17H2,1-3H3
InChIKeyPEIAGILHQYZJAS-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.83
Rot. Bonds8

About 4-amino-3-methoxy-N-methyl-N-(1-phenylbutan-2-yl)butanamide

4-amino-3-methoxy-N-methyl-N-(1-phenylbutan-2-yl)butanamide (PubChem CID 120593388) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-methyl-N-(1-phenylbutan-2-yl)butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-methyl-N-(1-phenylbutan-2-yl)butanamide
PubChem CID120593388
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-amino-3-methoxy-N-methyl-N-(1-phenylbutan-2-yl)butanamide
SMILESCCC(Cc1ccccc1)N(C)C(=O)CC(CN)OC
InChIInChI=1S/C16H26N2O2/c1-4-14(10-13-8-6-5-7-9-13)18(2)16(19)11-15(12-17)20-3/h5-9,14-15H,4,10-12,17H2,1-3H3
InChIKeyPEIAGILHQYZJAS-UHFFFAOYSA-N
XLogP1.83
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-ethyl-3-methoxy-N-(1-phenylbutan-2-yl)butanamide;hydrochloride
CID 120593580
3-amino-N-methyl-3-phenyl-N-(1-phenylbutan-2-yl)propanamide;hydrochloride
CID 119952076
4-amino-N-methyl-N-(1-phenylbutan-2-yl)pentanamide;hydrochloride
CID 120563414
4-amino-N-ethyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride
CID 120589443
4-amino-N-benzyl-3-methoxy-N-propylbutanamide;hydrochloride
CID 120586847
3-(2-aminophenyl)-N-methyl-N-(1-phenylbutan-2-yl)propanamide
CID 120611344
3-ethyl-1-methyl-1-(1-phenylbutan-2-yl)urea
CID 71994481
4-amino-N-benzyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride
CID 120586577
4-amino-3-methoxy-N-phenyl-N-(2-phenylethyl)butanamide;hydrochloride
CID 120590469
4-amino-N-[bis(4-chlorophenyl)methyl]-3-methoxy-N-methylbutanamide;hydrochloride
CID 120593768
4-amino-3-methoxy-N-methyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
CID 120596713
4-amino-N-(4-ethylphenyl)-3-methoxy-N-methylbutanamide
CID 103155730

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-methyl-N-(1-phenylbutan-2-yl)butanamide?
The IUPAC name of 4-amino-3-methoxy-N-methyl-N-(1-phenylbutan-2-yl)butanamide (CID 120593388) is 4-amino-3-methoxy-N-methyl-N-(1-phenylbutan-2-yl)butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-methyl-N-(1-phenylbutan-2-yl)butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-methyl-N-(1-phenylbutan-2-yl)butanamide is CCC(Cc1ccccc1)N(C)C(=O)CC(CN)OC.
What is the InChIKey of 4-amino-3-methoxy-N-methyl-N-(1-phenylbutan-2-yl)butanamide?
The InChIKey is PEIAGILHQYZJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-14(10-13-8-6-5-7-9-13)18(2)16(19)11-15(12-17)20-3/h5-9,14-15H,4,10-12,17H2,1-3H3.
What are the key properties of 4-amino-3-methoxy-N-methyl-N-(1-phenylbutan-2-yl)butanamide?
4-amino-3-methoxy-N-methyl-N-(1-phenylbutan-2-yl)butanamide has a molecular weight of 278.40 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-methyl-N-(1-phenylbutan-2-yl)butanamide is sourced from PubChem (CID 120593388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).