N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylamino)propanamide

C16H26N2O2 — CID 60938139

IUPACN-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylamino)propanamide
SMILESCc1ccc(OCCN(C)C(=O)CCNC(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-13(2)17-10-9-16(19)18(4)11-12-20-15-7-5-14(3)6-8-15/h5-8,13,17H,9-12H2,1-4H3
InChIKeyPFGRCJFIFRXIIS-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.22
Rot. Bonds8

About N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylamino)propanamide

N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylamino)propanamide (PubChem CID 60938139) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylamino)propanamide
PubChem CID60938139
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylamino)propanamide
SMILESCc1ccc(OCCN(C)C(=O)CCNC(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-13(2)17-10-9-16(19)18(4)11-12-20-15-7-5-14(3)6-8-15/h5-8,13,17H,9-12H2,1-4H3
InChIKeyPFGRCJFIFRXIIS-UHFFFAOYSA-N
XLogP2.22
TPSA41.57 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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 47120479
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 60937297
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60683403
N-[2-(4-methylphenoxy)ethyl]propan-2-amine
CID 17178065
N-[(4-ethoxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60936656
3-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 24660216
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 54869918
methyl 3-[methyl-[4-(4-methylphenoxy)butanoyl]amino]propanoate
CID 61030939
2-hydroxy-N-methyl-N-[3-(4-methylphenoxy)propyl]acetamide
CID 142802550
N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 86916962
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-(methylamino)butanamide
CID 54868859
4-[3-[methyl-[2-(4-methylphenoxy)ethyl]amino]-3-oxopropyl]benzoic acid
CID 119179858

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylamino)propanamide (CID 60938139) is N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylamino)propanamide is Cc1ccc(OCCN(C)C(=O)CCNC(C)C)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylamino)propanamide?
The InChIKey is PFGRCJFIFRXIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(2)17-10-9-16(19)18(4)11-12-20-15-7-5-14(3)6-8-15/h5-8,13,17H,9-12H2,1-4H3.
What are the key properties of N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylamino)propanamide?
N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylamino)propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 60938139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).