N-[2-(4-methoxyphenoxy)ethyl]-3-(2-methylpropylamino)propanamide

C16H26N2O3 — CID 109012798

IUPACN-[2-(4-methoxyphenoxy)ethyl]-3-(2-methylpropylamino)propanamide
SMILESCOc1ccc(OCCNC(=O)CCNCC(C)C)cc1
InChIInChI=1S/C16H26N2O3/c1-13(2)12-17-9-8-16(19)18-10-11-21-15-6-4-14(20-3)5-7-15/h4-7,13,17H,8-12H2,1-3H3,(H,18,19)
InChIKeyNIOICYOYMRRTHP-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.83
Rot. Bonds10

About N-[2-(4-methoxyphenoxy)ethyl]-3-(2-methylpropylamino)propanamide

N-[2-(4-methoxyphenoxy)ethyl]-3-(2-methylpropylamino)propanamide (PubChem CID 109012798) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-3-(2-methylpropylamino)propanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-3-(2-methylpropylamino)propanamide
PubChem CID109012798
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-3-(2-methylpropylamino)propanamide
SMILESCOc1ccc(OCCNC(=O)CCNCC(C)C)cc1
InChIInChI=1S/C16H26N2O3/c1-13(2)12-17-9-8-16(19)18-10-11-21-15-6-4-14(20-3)5-7-15/h4-7,13,17H,8-12H2,1-3H3,(H,18,19)
InChIKeyNIOICYOYMRRTHP-UHFFFAOYSA-N
XLogP1.83
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.83
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-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylbutylamino)acetamide
CID 109005309
methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate
CID 84578757
3-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031057
N-[3-(4-methoxyphenoxy)propyl]-4-(methylamino)butanamide;hydrochloride
CID 119747931
3-(3-methoxyanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031059
N-[2-(ethylamino)ethyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride
CID 119505213
N-(2-aminopropyl)-4-(4-methoxyphenoxy)butanamide
CID 82354195
2-chloro-N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide
CID 8935033
N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8935922
2-(4-methoxyphenoxy)-N-(2-phenoxyethyl)acetamide
CID 2265793
N-[2-(4-methoxyphenoxy)ethyl]-2-phenoxyacetamide
CID 17468348
N-[2-(ethylamino)ethyl]-4-(4-methoxyphenoxy)butanamide;hydrochloride
CID 119504704

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-3-(2-methylpropylamino)propanamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-3-(2-methylpropylamino)propanamide (CID 109012798) is N-[2-(4-methoxyphenoxy)ethyl]-3-(2-methylpropylamino)propanamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-3-(2-methylpropylamino)propanamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-3-(2-methylpropylamino)propanamide is COc1ccc(OCCNC(=O)CCNCC(C)C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-3-(2-methylpropylamino)propanamide?
The InChIKey is NIOICYOYMRRTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-13(2)12-17-9-8-16(19)18-10-11-21-15-6-4-14(20-3)5-7-15/h4-7,13,17H,8-12H2,1-3H3,(H,18,19).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-3-(2-methylpropylamino)propanamide?
N-[2-(4-methoxyphenoxy)ethyl]-3-(2-methylpropylamino)propanamide has a molecular weight of 294.39 g/mol, XLogP of 1.83, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-3-(2-methylpropylamino)propanamide is sourced from PubChem (CID 109012798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).