3-amino-N-(2,6-dimethyl-4-propoxyphenyl)propanamide

C14H22N2O2 — CID 12546916

IUPAC3-amino-N-(2,6-dimethyl-4-propoxyphenyl)propanamide
SMILESCCCOc1cc(C)c(NC(=O)CCN)c(C)c1
InChIInChI=1S/C14H22N2O2/c1-4-7-18-12-8-10(2)14(11(3)9-12)16-13(17)5-6-15/h8-9H,4-7,15H2,1-3H3,(H,16,17)
InChIKeyRFELJRSFWNBKHL-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.38
Rot. Bonds6

About 3-amino-N-(2,6-dimethyl-4-propoxyphenyl)propanamide

3-amino-N-(2,6-dimethyl-4-propoxyphenyl)propanamide (PubChem CID 12546916) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-N-(2,6-dimethyl-4-propoxyphenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(2,6-dimethyl-4-propoxyphenyl)propanamide
PubChem CID12546916
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-N-(2,6-dimethyl-4-propoxyphenyl)propanamide
SMILESCCCOc1cc(C)c(NC(=O)CCN)c(C)c1
InChIInChI=1S/C14H22N2O2/c1-4-7-18-12-8-10(2)14(11(3)9-12)16-13(17)5-6-15/h8-9H,4-7,15H2,1-3H3,(H,16,17)
InChIKeyRFELJRSFWNBKHL-UHFFFAOYSA-N
XLogP2.38
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Cilostamide
CID 2753
N-[4-(benzyloxy)phenyl]glycinamide
CID 22690393
Allyxycarb
CID 22890
4-amino-N-[4-(benzyloxy)phenyl]butanamide
CID 22692237
N-(4-Methoxy-2-methylphenyl)-acetamide
CID 95082
4-Methylformamido-3,5-xylyl methylcarbamate
CID 25069
4-Methylamino-3,5-xylyl methylcarbamate
CID 25221
3-[(2,4-dimethylanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 941920
(2S)-2-amino-N-[4-(benzyloxy)phenyl]propanamide
CID 22690542
6-methoxy-3-[(4-methoxyanilino)methyl]-1H-quinolin-2-one
CID 664029
3-[(cyclohexylamino)methyl]-6-methoxy-1H-quinolin-2-one
CID 664711
6-Methoxy-3-phenylaminomethyl-quinolin-2-ol
CID 942126

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,6-dimethyl-4-propoxyphenyl)propanamide?
The IUPAC name of 3-amino-N-(2,6-dimethyl-4-propoxyphenyl)propanamide (CID 12546916) is 3-amino-N-(2,6-dimethyl-4-propoxyphenyl)propanamide.
What is the SMILES notation for 3-amino-N-(2,6-dimethyl-4-propoxyphenyl)propanamide?
The canonical SMILES for 3-amino-N-(2,6-dimethyl-4-propoxyphenyl)propanamide is CCCOc1cc(C)c(NC(=O)CCN)c(C)c1.
What is the InChIKey of 3-amino-N-(2,6-dimethyl-4-propoxyphenyl)propanamide?
The InChIKey is RFELJRSFWNBKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-7-18-12-8-10(2)14(11(3)9-12)16-13(17)5-6-15/h8-9H,4-7,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-N-(2,6-dimethyl-4-propoxyphenyl)propanamide?
3-amino-N-(2,6-dimethyl-4-propoxyphenyl)propanamide has a molecular weight of 250.34 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,6-dimethyl-4-propoxyphenyl)propanamide is sourced from PubChem (CID 12546916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).