N-(3-chloro-4-propan-2-yloxyphenyl)-4-(methylamino)butanamide

C14H21ClN2O2 — CID 60840814

IUPACN-(3-chloro-4-propan-2-yloxyphenyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C14H21ClN2O2/c1-10(2)19-13-7-6-11(9-12(13)15)17-14(18)5-4-8-16-3/h6-7,9-10,16H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyIWWZORYBGNIYPJ-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.07
Rot. Bonds7

About N-(3-chloro-4-propan-2-yloxyphenyl)-4-(methylamino)butanamide

N-(3-chloro-4-propan-2-yloxyphenyl)-4-(methylamino)butanamide (PubChem CID 60840814) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-(3-chloro-4-propan-2-yloxyphenyl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(3-chloro-4-propan-2-yloxyphenyl)-4-(methylamino)butanamide
PubChem CID60840814
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC NameN-(3-chloro-4-propan-2-yloxyphenyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C14H21ClN2O2/c1-10(2)19-13-7-6-11(9-12(13)15)17-14(18)5-4-8-16-3/h6-7,9-10,16H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyIWWZORYBGNIYPJ-UHFFFAOYSA-N
XLogP3.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(methylamino)butanamide
CID 61258739
4-(methylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide
CID 119802582
5-bromo-N-(3-chloro-4-propan-2-yloxyphenyl)pentanamide
CID 107908992
6-amino-N-(3-chloro-4-propan-2-yloxyphenyl)hexanamide
CID 43712013
3-(3-chloro-4-propan-2-yloxyanilino)-3-oxopropanoic acid
CID 62231321
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 75423665
ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate
CID 60747816
N-(3-chloro-4-propan-2-yloxyphenyl)-2-methoxypropanamide
CID 47306002
4-(methylamino)-N-(2-propan-2-yloxyphenyl)butanamide;hydrochloride
CID 119714850
1-amino-N-(3-chloro-4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide
CID 60852453
N-(3,4-dimethylphenyl)-4-(methylamino)butanamide
CID 60842744

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-propan-2-yloxyphenyl)-4-(methylamino)butanamide?
The IUPAC name of N-(3-chloro-4-propan-2-yloxyphenyl)-4-(methylamino)butanamide (CID 60840814) is N-(3-chloro-4-propan-2-yloxyphenyl)-4-(methylamino)butanamide.
What is the SMILES notation for N-(3-chloro-4-propan-2-yloxyphenyl)-4-(methylamino)butanamide?
The canonical SMILES for N-(3-chloro-4-propan-2-yloxyphenyl)-4-(methylamino)butanamide is CNCCCC(=O)Nc1ccc(OC(C)C)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-propan-2-yloxyphenyl)-4-(methylamino)butanamide?
The InChIKey is IWWZORYBGNIYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-10(2)19-13-7-6-11(9-12(13)15)17-14(18)5-4-8-16-3/h6-7,9-10,16H,4-5,8H2,1-3H3,(H,17,18).
What are the key properties of N-(3-chloro-4-propan-2-yloxyphenyl)-4-(methylamino)butanamide?
N-(3-chloro-4-propan-2-yloxyphenyl)-4-(methylamino)butanamide has a molecular weight of 284.79 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-propan-2-yloxyphenyl)-4-(methylamino)butanamide is sourced from PubChem (CID 60840814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).