N-(4-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide

C16H21N3O2 — CID 43526601

IUPACN-(4-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
SMILESCc1cc(N)ccc1NC(=O)C(C)N(C)Cc1ccco1
InChIInChI=1S/C16H21N3O2/c1-11-9-13(17)6-7-15(11)18-16(20)12(2)19(3)10-14-5-4-8-21-14/h4-9,12H,10,17H2,1-3H3,(H,18,20)
InChIKeyTVQRBEWDPLYFCA-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.63
Rot. Bonds5

About N-(4-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide

N-(4-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide (PubChem CID 43526601) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
PubChem CID43526601
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(4-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
SMILESCc1cc(N)ccc1NC(=O)C(C)N(C)Cc1ccco1
InChIInChI=1S/C16H21N3O2/c1-11-9-13(17)6-7-15(11)18-16(20)12(2)19(3)10-14-5-4-8-21-14/h4-9,12H,10,17H2,1-3H3,(H,18,20)
InChIKeyTVQRBEWDPLYFCA-UHFFFAOYSA-N
XLogP2.63
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526612
(2R)-N-(2,4-dichlorophenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 9334007
N-(4-amino-2-methylphenyl)-2-[2-hydroxypropyl(methyl)amino]propanamide
CID 62335489
N-(4-amino-2-methylphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide
CID 43186151
N-(4-amino-2-methylphenyl)-2-[3-methoxypropyl(methyl)amino]propanamide
CID 62983726
N-(4-amino-2-methylphenyl)-2-(dipropylamino)propanamide
CID 16779619
N-(4-amino-2-methylphenyl)-2-methylpropanamide
CID 960642
N-(5-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 43526619
N-(2-aminophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide
CID 61426661
N-(2,3-dihydro-1H-inden-5-yl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 17403152
(2S)-2-[furan-2-ylmethyl(methyl)amino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 26518608
2-[furan-2-ylmethyl(methyl)amino]-N-(4-nitrophenyl)propanamide
CID 51171787

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide (CID 43526601) is N-(4-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide is Cc1cc(N)ccc1NC(=O)C(C)N(C)Cc1ccco1.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide?
The InChIKey is TVQRBEWDPLYFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-9-13(17)6-7-15(11)18-16(20)12(2)19(3)10-14-5-4-8-21-14/h4-9,12H,10,17H2,1-3H3,(H,18,20).
What are the key properties of N-(4-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide?
N-(4-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide has a molecular weight of 287.36 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide is sourced from PubChem (CID 43526601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).