N-[3-(2-methoxyethoxymethyl)phenyl]-3-(propan-2-ylamino)propanamide

C16H26N2O3 — CID 60927722

IUPACN-[3-(2-methoxyethoxymethyl)phenyl]-3-(propan-2-ylamino)propanamide
SMILESCOCCOCc1cccc(NC(=O)CCNC(C)C)c1
InChIInChI=1S/C16H26N2O3/c1-13(2)17-8-7-16(19)18-15-6-4-5-14(11-15)12-21-10-9-20-3/h4-6,11,13,17H,7-10,12H2,1-3H3,(H,18,19)
InChIKeyRFZPUEICKRQNJR-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.18
Rot. Bonds10

About N-[3-(2-methoxyethoxymethyl)phenyl]-3-(propan-2-ylamino)propanamide

N-[3-(2-methoxyethoxymethyl)phenyl]-3-(propan-2-ylamino)propanamide (PubChem CID 60927722) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxymethyl)phenyl]-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxymethyl)phenyl]-3-(propan-2-ylamino)propanamide
PubChem CID60927722
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN-[3-(2-methoxyethoxymethyl)phenyl]-3-(propan-2-ylamino)propanamide
SMILESCOCCOCc1cccc(NC(=O)CCNC(C)C)c1
InChIInChI=1S/C16H26N2O3/c1-13(2)17-8-7-16(19)18-15-6-4-5-14(11-15)12-21-10-9-20-3/h4-6,11,13,17H,7-10,12H2,1-3H3,(H,18,19)
InChIKeyRFZPUEICKRQNJR-UHFFFAOYSA-N
XLogP2.18
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide
CID 54927883
3-amino-2-methoxy-N-[3-(2-methoxyethoxymethyl)phenyl]propanamide
CID 106111842
3-amino-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]butanamide
CID 119754191
4-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]butanamide;hydrochloride
CID 119289103
N-(3-ethynylphenyl)-3-(propan-2-ylamino)propanamide
CID 60852147
N-(3-methylsulfonylphenyl)-3-(propan-2-ylamino)propanamide
CID 54862201
3-[3-[4-(propan-2-ylamino)butanoylamino]phenyl]propanoic acid
CID 115339859
3-(2,2-difluoroethoxy)-N-[3-[(propan-2-ylamino)methyl]phenyl]propanamide
CID 106910760
2-(2-methoxyethylamino)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride
CID 119753968
N-[3-(hydroxymethyl)phenyl]-4-methoxybutanamide
CID 78986765
N-(3-nitrophenyl)-3-(propan-2-ylamino)propanamide
CID 60716474
N-[3-(3-cyanopropoxy)phenyl]-3-(propan-2-ylamino)propanamide
CID 60927655

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxymethyl)phenyl]-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[3-(2-methoxyethoxymethyl)phenyl]-3-(propan-2-ylamino)propanamide (CID 60927722) is N-[3-(2-methoxyethoxymethyl)phenyl]-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[3-(2-methoxyethoxymethyl)phenyl]-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[3-(2-methoxyethoxymethyl)phenyl]-3-(propan-2-ylamino)propanamide is COCCOCc1cccc(NC(=O)CCNC(C)C)c1.
What is the InChIKey of N-[3-(2-methoxyethoxymethyl)phenyl]-3-(propan-2-ylamino)propanamide?
The InChIKey is RFZPUEICKRQNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-13(2)17-8-7-16(19)18-15-6-4-5-14(11-15)12-21-10-9-20-3/h4-6,11,13,17H,7-10,12H2,1-3H3,(H,18,19).
What are the key properties of N-[3-(2-methoxyethoxymethyl)phenyl]-3-(propan-2-ylamino)propanamide?
N-[3-(2-methoxyethoxymethyl)phenyl]-3-(propan-2-ylamino)propanamide has a molecular weight of 294.40 g/mol, XLogP of 2.18, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxymethyl)phenyl]-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 60927722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).