N-(2-amino-4-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide

C16H27N3O2 — CID 43272559

IUPACN-(2-amino-4-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide
SMILESCCC(C)N(C)CCCC(=O)Nc1ccc(OC)cc1N
InChIInChI=1S/C16H27N3O2/c1-5-12(2)19(3)10-6-7-16(20)18-15-9-8-13(21-4)11-14(15)17/h8-9,11-12H,5-7,10,17H2,1-4H3,(H,18,20)
InChIKeyKDSMQRNSABAHHH-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.73
Rot. Bonds8

About N-(2-amino-4-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide

N-(2-amino-4-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide (PubChem CID 43272559) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide
PubChem CID43272559
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-(2-amino-4-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide
SMILESCCC(C)N(C)CCCC(=O)Nc1ccc(OC)cc1N
InChIInChI=1S/C16H27N3O2/c1-5-12(2)19(3)10-6-7-16(20)18-15-9-8-13(21-4)11-14(15)17/h8-9,11-12H,5-7,10,17H2,1-4H3,(H,18,20)
InChIKeyKDSMQRNSABAHHH-UHFFFAOYSA-N
XLogP2.73
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272523
N-(2-amino-4-methoxyphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide
CID 43569669
N-(2-amino-4-methoxyphenyl)nonanamide
CID 65449480
N-(2-amino-4-methoxyphenyl)-4-[methyl(2-methylsulfanylethyl)amino]butanamide
CID 115985312
N-(2-amino-4-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16790182
N-(2-amino-4-methoxyphenyl)-4-(3-hydroxybutan-2-ylsulfanyl)butanamide
CID 107770402
N-(5-amino-2-methylphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272550
N-(2-amino-4-methoxyphenyl)-4-pentoxybutanamide
CID 43274979
(2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide
CID 40788880
N-(2-amino-4-fluorophenyl)-4-[methyl(pentan-2-yl)amino]butanamide
CID 43571694
N-(2-amino-4-methoxyphenyl)-3-(2-propan-2-yloxyethoxy)propanamide
CID 18071109
N-(2-amino-4-methoxyphenyl)-4-(3-hydroxypropylsulfanyl)butanamide
CID 66114270

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide (CID 43272559) is N-(2-amino-4-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide is CCC(C)N(C)CCCC(=O)Nc1ccc(OC)cc1N.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide?
The InChIKey is KDSMQRNSABAHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-12(2)19(3)10-6-7-16(20)18-15-9-8-13(21-4)11-14(15)17/h8-9,11-12H,5-7,10,17H2,1-4H3,(H,18,20).
What are the key properties of N-(2-amino-4-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide?
N-(2-amino-4-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide has a molecular weight of 293.41 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide is sourced from PubChem (CID 43272559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).